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• E9780128219782v1_WEB
• Cover
• COMPREHENSIVE COMPUTATIONAL CHEMISTRY
• CONTENTS OF VOLUME 1
• LIST OF CONTRIBUTORS FOR VOLUME 1
• Editor Biographies
• Preface
• Acknowledgements
• Dedication
• Introduction to "Advanced Electronic Structure Methods in Computational Quantum Chemistry"
• 1 Introduction
• 2 Chapters and Contents
• 3 Summary
• Modern Basis Sets Across the Periodic Table
• Key Points
• 1 Introduction
• 2 Background
• 3 Common Families of Basis Sets
• 3.1 Atomic Natural Orbital Basis Sets
• 3.2 Correlation Consistent Basis Sets
• 3.3 Karlsruhe Basis Sets

• 3.4 Polarization Consistent Basis Sets
• 3.5 nZaP Basis Sets
• 3.6 Sapporo Basis Sets
• 3.7 Dyall Correlation Consistent Basis Sets
• 4 Modern Basis Sets Across the Periodic Table
• 4.1 H, He and the First two Main Group Rows
• 4.2 Alkali and Alkaline Earth Elements
• 4.3 d-Block Elements
• 4.4 Post-d Main Group Elements
• 4.5 f-Block Elements
• 4.6 Superheavy Elements (6d, 7p)
• 5 Summary
• References
• How Coupled-Cluster Theory is Solving the Electron Correlation Problem
• Key Points
• 1 Introduction
• 2 Brief Sketch of CC Theory
• 3 Numerical Applications
• 3.1 Ground States

• 3.1.1 Tailoring T amplitudes
• 3.1.2 Analytic gradients and Hessians
• 3.1.3 Derivative and response theories for properties
• 3.1.4 Molecular dipole static and dynamic polarizabilities and C6 coefficients
• 3.1.5 NMR chemical shifts and indirect spin-spin coupling constants
• 3.1.6 Electron spin (or paramagnetic)-resonance (ESR or EPR) spectra tensors
• 3.1.7 Beyond Born-Oppenheimer approximation (anharmonic frequencies and vibrational effects on ground state properties)
• 3.1.8 Composite Methods
• 3.2 CC Excited States
• 3.2.1 CC excited state methods
• 3.2.2 IP-EOM-CC and EA-EOM-CC

• 3.2.3 Other low scaling EOM-CC methods
• 3.2.4 Analytical gradients of EOM-CC and applications
• 3.2.5 Relativistic effects and Spin-orbit coupling constants
• 4 Concluding Remarks
• Acknowledgment
• References
• Benchmark Accuracy in Thermochemistry, Kinetics, and Noncovalent Interactions
• Key Points
• Glossary
• 1 Introduction
• 2 Accuracy in Quantum Chemical Calculations
• 3 Overview of Composite Ab Initio Methods
• 3.1 Computational Cost of Composite Ab Initio Methods
• 3.2 Accuracy of Composite Ab Initio Methods
• 4 Energy Components in High-Level Composite Ab Initio Methods

• 4.1 Valence CCSD(T) Energy Components
• 4.2 Post-CCSD(T) Energy Components
• 4.3 Secondary Energy Corrections
• 5 Putting it all Together for Thermochemistry, Kinetics, and Noncovalent Interactions
• Acknowledgments
• References
• Modern Density Functionals Derived From First Principles
• Key Points
• 1 Introduction to Kohn-Sham Density Functional Theory
• 2 Exact Constraints for the Exchange-Correlation Hole and Energy Functional
• 3 Jacob's Ladder Hierarchy and Some Non-Empirical Functionals on it
• 3.1 Rung 1: Local Spin Density Approximation

• Volume 1. Experimental and theoretical methods
• Volume 2. Phenomena and understanding
• Volume 3. Applications.

"Encyclopedia of Solid-Liquid Interfaces is designed to provide a comprehensive overview of macroscopic phenomena at solid-liquid interfaces, e.g. in physics, chemistry, geology, biology and technology, and to describe the methodological approaches and strategies to gain microscopic insight into the underlying properties and processes on the atomic/molecular level. Covering an area of chemistry that plays a fundamental role in nature and technology, the book compiles all relevant features of the field into a 'one-stop' reference source that will be relevant to a wide range of interdisciplinary scientists, researchers and academics. Encompassing 170 chapters by renowned experts, and led by leading names in the field, the contents will be organized over 3 volumes."--Publisher's website.

• Introduction
• Principles of X-ray Fluorescence
• Qualitative Analysis using pXRF
• Quantitative Analysis
• Features of Portable XRF Devices and their Safe Handling
• Industrial Applications of pXRF
• Regulatory Applications of XRF for Elemental Analysis - Rapid Screening and Accurate Quantitative Analysis of Toxic and Nutrient Elements in Consumer Products
• Chemical Analysis of Natural Waters Using Portable X-ray Fluorescence Spectrometry
• X-ray fluorescence Applications in Agriculture
• Subsurface Characterization for Energy Applications
• In situ X-ray Spectrometers in Space Exploration
• Evolution of Portable Devices: Using EDXRF to Study Works of Art
• Quantitative Analysis of Archaeological and Historical Brasses Using Handheld X-ray Fluorescence Spectrometry
• pXRF Analysis of Heritage Glass
• Reproducibility and Validity of Portable ED-XRF Instruments: A Comparison of Spectral and Quantitative Results from Belizean and Ethiopian Obsidian
• Uncertainty and pXRF Measurements
• Artificial Intelligence, Machine Learning and XRF
• Element Guide.
• (source: Nielsen Book Data)

Over the last two decades, advances in the design, miniaturization, and analytical capabilities of portable X-ray fluorescence (pXRF) instrumentation have led to its rapid and widespread adoption in a remarkably diverse range of applications in research and industrial fields. The impetus for this volume was that, as pXRF continues to grow into mainstream use, analysts should be increasingly empowered with the right information to safely and effectively employ pXRF as part of their analytical toolkit. This volume provides introductory and advanced-level users alike with readings on topics ranging from basic principles of pXRF and qualitative and quantitative approaches, through to machine learning and artificial intelligence for enhanced applications. It also includes fundamental guidance on calibrations, the mathematics of calculating uncertainties, and an extensive reference index of all elements and their interactions with X-rays. Contributing authors have provided a wealth of information and case studies in industry-specific chapters. These sections delve into detail on current standard practices in industry and research, including examples from agricultural and geo-exploration sectors, research in art and archaeology, and metals industrial and regulatory applications. As pXRF continues to grow in use in industrial and academic settings, it is essential that practitioners continue to learn, share, and implement informed and effective use of this technique. This volume serves as an accessible guidebook and go-to reference manual for new and experienced users in pXRF to achieve this goal.
(source: Nielsen Book Data)

• 2D-Transition Metal Carbides and Nitrides: Materials for the Next Generation / Kumar, Nilmani, Department of Biotechnology, University Institute of Engineering & Technology (UIET), Panjab University, Chandigarh, India 160014; Singh, Harpreet, Department of Biotechnology, University Institute of Engineering & Technology (UIET), Panjab University, Chandigarh, India 160014; Khatri, Madhu, Department of Biotechnology, University Institute of Engineering & Technology (UIET), Panjab University, Chandigarh, India 160014; Bhardwaj, Neha, Department of Biotechnology, University Institute of Engineering & Technology (UIET), Panjab University, Chandigarh, India 160014 / http://dx.doi.org/10.1021/bk-2023-1442.ch001
• Amalgamation of MXenes and Polymers for Multifunctional Nanocomposites / Tian, Yuqin, College of Petrochemical Technology, Lanzhou University of Technology, Lanzhou 730050, P. R. China; Ma, Yanqi, Department of Polymeric Materials and Engineering, School of Materials and Energy, Guangdong University of Technology, Guangzhou 510006, P. R. China; He, Xiaoling, Department of Polymeric Materials and Engineering, School of Materials and Energy, Guangdong University of Technology, Guangzhou 510006, P. R. China; Zhang, Li, Department of Polymeric Materials and Engineering, School of Materials and Energy, Guangdong University of Technology, Guangzhou 510006, P. R. China, Guangdong Provincial Key Laboratory of Functional Soft Condensed Matter, Guangdong University of Technology, Guangzhou 510006, P. R. China; Chen, Ying, Guangdong Provincial Key Laboratory of Functional Soft Condensed Matter, Guangdong University of Technology, Guangzhou 510006, P. R. China; Sheng, Xinxin, Department of Polymeric Materials and Engineering, School of Materials and Energy, Guangdong University of Technology, Guangzhou 510006, P. R. China, Guangdong Provincial Key Laboratory of Functional Soft Condensed Matter, Guangdong University of Technology, Guangzhou 510006, P. R. China / http://dx.doi.org/10.1021/bk-2023-1442.ch002
• MXene-Polyoxometalate Hybrid Materials: From Composites to Intercalates / Zhu, Jun-Jie, Catalan Institute of Nanoscience and Nanotechnology (ICN2), CSIC and BIST, Campus UAB, Bellaterra, 08193 Barcelona, Spain; Gomez-Romero, Pedro, Catalan Institute of Nanoscience and Nanotechnology (ICN2), CSIC and BIST, Campus UAB, Bellaterra, 08193 Barcelona, Spain / http://dx.doi.org/10.1021/bk-2023-1442.ch003
• Emerging Trends in Advanced Synthesis and Properties: Mxenes as Super Materials / Chandra, Prakash, Department of Chemistry, School of Energy Technology (SoET), Pandit Deendayal Energy University (PDEU), Gandhinagar, Gujarat 382009, India / http://dx.doi.org/10.1021/bk-2023-1442.ch004
• Progresses and Challenges in 2D MXenes: Synthesis, Intercalation/Delamination, and Storage / Khatun, Nasima, Semiconducting Oxide Materials, Nanostructures, and Tailored Heterojunction (SOMNaTH) Lab, Physics Department, Indian Institute of Technology Madras, Chennai 600036, Tamil Nadu, India, Department of Chemical Engineering and Biotechnology, National Taipei University of Technology, Taipei 10608, Taiwan, ROC, Precision Analysis and Materials Research Centre, National Taipei University of Technology, Taipei 10608, Taiwan, ROC / http://dx.doi.org/10.1021/bk-2023-1442.ch005
• Modeling and Simulation of Electrochemical, Thermoelectric, and Magnetic Properties of MXenes / Das, Mandira, Department of Physics, Indian Institute of Technology Guwahati, Guwahati 781039, India; Sarmah, Himangshu Sekhar, Department of Physics, Indian Institute of Technology Guwahati, Guwahati 781039, India; Murari, Himanshu, Department of Physics, Indian Institute of Technology Guwahati, Guwahati 781039, India; Ghosh, Subhradip, Department of Physics, Indian Institute of Technology Guwahati, Guwahati 781039, India / http://dx.doi.org/10.1021/bk-2023-1442.ch006

• Electrochemical CO2 Conversion via MXenes: A DFT Perspective / Abraham, B. Moses, Department of Chemical Engineering, Indian Institute of Technology Kanpur, Kanpur 208016, India; Jyothirmai, M. V., Department of Chemical Engineering, Indian Institute of Technology Kanpur, Kanpur 208016, India; Singh, Jayant K., Department of Chemical Engineering, Indian Institute of Technology Kanpur, Kanpur 208016, India / http://dx.doi.org/10.1021/bk-2023-1442.ch007
• MXenes: Synthetic Approaches and Sensing Advances / Joshi, Dharaben J., Department of Chemistry, Sardar Vallabhbhai National Institute of Technology, Surat 395007, Gujarat, India; Malek, Naved I., Department of Chemistry, Sardar Vallabhbhai National Institute of Technology, Surat 395007, Gujarat, India; Kailasa, Suresh Kumar, Department of Chemistry, Sardar Vallabhbhai National Institute of Technology, Surat 395007, Gujarat, India / http://dx.doi.org/10.1021/bk-2023-1442.ch008
• Biosensing Frontiers: MXenes and Their Composites / Pillai, Rahul, Centre of Excellence - Sensors & Nanoelectronics, CMR Institute of Technology, Bengaluru 560037, India, Department of Chemistry, CMR Institute of Technology, Bengaluru 56007, India; Balan, Ramdas, Centre of Excellence - Sensors & Nanoelectronics, CMR Institute of Technology, Bengaluru 560037, India, Department of Physics, CMR Institute of Technology, Bengaluru 56007, India; Holaday, Derry, Department of Chemistry, University of Calicut, Malappuram, Kerala 673635, India; Janardhanan, Jandas Ponnath, Centre of Excellence - Sensors & Nanoelectronics, CMR Institute of Technology, Bengaluru 560037, India, Department of Chemistry, CMR Institute of Technology, Bengaluru 56007, India / http://dx.doi.org/10.1021/bk-2023-1442.ch009
• Dimensionality-Dependent Synthesis and Photocatalytic MXenes / Kapur, Abhinav, Department of Chemistry and Centre of Advanced Studies in Chemistry, Panjab University, Chandigarh 160014, India; Kaur, Navneet, Department of Chemistry, Punjab Engineering College (Deemed to be University), Chandigarh 160012, India; Chaudhary, Ganga Ram, Department of Chemistry and Centre of Advanced Studies in Chemistry, Panjab University, Chandigarh 160014, India, SAIF/CIL, Panjab University, Chandigarh 160014, India / http://dx.doi.org/10.1021/bk-2023-1442.ch010
• Editors' Biographies / http://dx.doi.org/10.1021/bk-2023-1442.ot001

"MXenes from Fundamentals to New Frontiers. MXenes, two-dimensional materials classified as transition metal carbides and nitrides, are currently among the most in-demand materials of the 21st century. Their tunability and superior material properties have attracted significant attention from researchers and developers. MXenes exhibit agility in synthesis and processing and possess indispensable properties such as mechanical, electronic, magnetic, and optical characteristics. Consequently, there are seemingly unlimited applications that offer a clear path toward commercialization. This volume focuses on the fundamentals of MXenes (structure, chemistry, nomenclature, material features, and characteristics) and artificial intelligence-machine learning applications and interventions. The target audience includes researchers and material professionals interested in material chemistry involving synthesis, characterization, and applications in advanced materials."-- Provided by publisher.

• Mxene-Based Composite Materials as Antibacterial Agents for Healthcare Applications / Singhwane, Anju, Council of Scientific and Industrial Research, Advanced Materials and Processes Research Institute, Bhopal (MP), 462026 India, Academy of council Scientific and Industrial Research, Advanced Materials and Processes Research Institute (AMPRI), Hoshangabad Road, Bhopal (M.P), 462026 India; Chaturvedi, Kamna, Council of Scientific and Industrial Research, Advanced Materials and Processes Research Institute, Bhopal (MP), 462026 India, Academy of council Scientific and Industrial Research, Advanced Materials and Processes Research Institute (AMPRI), Hoshangabad Road, Bhopal (M.P), 462026 India; Mohapatra, Ranjan K., Department of Chemistry, Government College of Engineering, Keonjhar, 758 002 Odisha, India; Srivastava, Avanish Kumar, Council of Scientific and Industrial Research, Advanced Materials and Processes Research Institute, Bhopal (MP), 462026 India, Academy of council Scientific and Industrial Research, Advanced Materials and Processes Research Institute (AMPRI), Hoshangabad Road, Bhopal (M.P), 462026 India; Verma, Sarika, Council of Scientific and Industrial Research, Advanced Materials and Processes Research Institute, Bhopal (MP), 462026 India, Academy of council Scientific and Industrial Research, Advanced Materials and Processes Research Institute (AMPRI), Hoshangabad Road, Bhopal (M.P), 462026 India / http://dx.doi.org/10.1021/bk-2023-1443.ch001
• Cancer Theranostic Applications of MXenes / Nikazar, Sohrab, Chemical Engineering Faculty, Engineering College, University of Tehran, Tehran 14155-6455, Iran; Mofidi, Zahra, Center of Excellence in Electrochemistry, Faculty of Chemistry, University of Tehran, Tehran 14155-6455, Iran; Mortazavi, Mahtab, School of Chemistry, College of Science, University of Tehran, Tehran 14155-6455, Iran / http://dx.doi.org/10.1021/bk-2023-1443.ch002
• Frontiers in Biomedical Applications through Niobium Carbide MXenes / Rabiee, Navid, Centre for Molecular Medicine and Innovative Therapeutics, Murdoch University, Perth, WA 6150, Australia; Ahmadi, Sepideh, Department of Medical Biotechnology, School of Advanced Technologies in Medicine, Shahid Beheshti University of Medical Sciences, Tehran 19857-17443, Iran, Cellular and Molecular Biology Research Center, Shahid Beheshti University of Medical Sciences, Tehran 19857-17443, Iran; Iravani, Siavash, Faculty of Pharmacy and Pharmaceutical Sciences, Isfahan University of Medical Sciences, 81746-73461 Isfahan, Iran; Varma, Rajender S., Institute for Nanomaterials, Advanced Technologies and Innovation (CxI), Technical University of Liberec (TUL), Studentská 1402/2, Liberec 1 461 17, Czech Republic / http://dx.doi.org/10.1021/bk-2023-1443.ch003
• MXene-CNTs: A Prospective Composite Material for Biomedical Applications Engrossing Wearable Sensors / Meskher, Hicham, Division of Process Engineering, College of Applied Science, Kasdi-Merbah University, Ouargla 30000, Algeria; Thakur, Amrit Kumar, Department of Mechanical Engineering, KPR Institute of Engineering and Technology, Arasur, Coimbatore, Tamil Nadu 641407, India; Sharifianjazi, Fariborz, School of Science and Technology, University of Georgia, Tbilisi 0162, Georgia; Sathyamurthy, Ravishankar, Mechanical Engineering Department King Fahd University of Petroleum and Minerals, Dhahran 31261, Saudi Arabia; Lynch, Iseult, School of Geography, Earth and Environmental Sciences, University of Birmingham, Edgbaston, B15 2TT Birmingham, United Kingdom; Saidur, Rahman, Research Centre for Nano-Materials and Energy Technology (RCNMET), School of Engineering and Technology, Sunway University, No. 5, Jalan Universiti, Bandar Sunway, 47500 Petaling Jaya, Malaysia / http://dx.doi.org/10.1021/bk-2023-1443.ch004--

• Artificial Intelligence Advancements in Neurocomputing for MXene-Based Artificial Synapses Devices / Swapnalin, Jhilmil, Multiferroic and Magnetic Material Research Laboratory (MMMRL), GITAM School of Science, Gandhi Institute of Technology & Management (GITAM), Bengaluru, Karnataka, India; Ghosh, Tapasi, Ramaiah University of Applied Sciences, Bengaluru, Karnataka, India; Koneru, Bhargavi, Multiferroic and Magnetic Material Research Laboratory (MMMRL), GITAM School of Science, Gandhi Institute of Technology & Management (GITAM), Bengaluru, Karnataka, India; Banerjee, Prasun, Multiferroic and Magnetic Material Research Laboratory (MMMRL), GITAM School of Science, Gandhi Institute of Technology & Management (GITAM), Bengaluru, Karnataka, India / http://dx.doi.org/10.1021/bk-2023-1443.ch005
• Gas Separation Technologies: MXenes-Based Membrane Systems / Zhang, Qingxiao, School of Chemical Engineering, Shandong University of Technology, Zibo 255049, P. R. China; Meng, Xiuxia, School of Chemical Engineering, Shandong University of Technology, Zibo 255049, P. R. China; Yang, Naitao, School of Chemical Engineering, Shandong University of Technology, Zibo 255049, P. R. China / http://dx.doi.org/10.1021/bk-2023-1443.ch006
• MXenes-Based High-Performance Polymer Composites as Next-Generation Flame Retardants / Zhou, Qiankun, School of Energy, Materials and Chemical Engineering, Hefei University, 99 Jinxiu Avenue, Hefei, Anhui 230601, P. R. China; Yang, Wenjie, Department of Architecture and Civil Engineering, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong 999077, P. R. China; Lu, Hongdian, School of Energy, Materials and Chemical Engineering, Hefei University, 99 Jinxiu Avenue, Hefei, Anhui 230601, P. R. China; Yang, Wei, School of Energy, Materials and Chemical Engineering, Hefei University, 99 Jinxiu Avenue, Hefei, Anhui 230601, P. R. China; Wei, Chunxiang, School of Energy, Materials and Chemical Engineering, Hefei University, 99 Jinxiu Avenue, Hefei, Anhui 230601, P. R. China / http://dx.doi.org/10.1021/bk-2023-1443.ch007
• Environmental Remediation: A MXenes Perspective / Sheetal, Department of Chemistry, Netaji Subhas University of Technology, Dwarka Sector 3, New Delhi 110078, India; Thakur, Sanjeeve, Department of Chemistry, Netaji Subhas University of Technology, Dwarka Sector 3, New Delhi 110078, India; Pani, Balaram, Department of Chemistry, Bhaskaracharya College of Applied Sciences, University of Delhi, Sector 2, Dwarka, New Delhi 110075, India; Singh, Ashish Kumar, Department of Chemistry, Netaji Subhas University of Technology, Dwarka Sector 3, New Delhi 110078, India, Department of Chemistry, Hansraj College, University of Delhi, New Delhi 110007, India; Singh, Manjeet, Department of Chemistry, School of Physical Sciences, Mizoram University, Aizawl, Mizoram 796004, India / http://dx.doi.org/10.1021/bk-2023-1443.ch008
• Remediation of Hazardous Pollutants via MXenes-Based Smart Materials / Nehra, Sapna, School of Basic and Applied Sciences, Nirwan University, Jaipur, Rajasthan 303305, India; Sharma, Rekha, Department of Chemistry, Banasthali Vidyapith, Banasthali, Rajasthan 304022, India; Kumar, Dinesh, School of Chemical Sciences, Central University of Gujarat, Gandhinagar 383020, India / http://dx.doi.org/10.1021/bk-2023-1443.ch009

• MXenes-Based Materials for Contaminant Removal from Wastewaters / Chand, Hushan, School of Chemical Sciences and Advanced Materials Research Center, Indian Institute of Technology Mandi, Kamand, Mandi 175075, Himachal Pradesh, India; Kumari, Kamlesh, School of Chemical Sciences and Advanced Materials Research Center, Indian Institute of Technology Mandi, Kamand, Mandi 175075, Himachal Pradesh, India; Krishnan, Venkata, School of Chemical Sciences and Advanced Materials Research Center, Indian Institute of Technology Mandi, Kamand, Mandi 175075, Himachal Pradesh, India / http://dx.doi.org/10.1021/bk-2023-1443.ch010
• Editors' Biographies / http://dx.doi.org/10.1021/bk-2023-1443.ot001

"MXenes Potential in Biomedical and Environmental Applications. MXenes, two-dimensional materials classified as transition metal carbides and nitrides, are currently among the most in-demand materials of the 21st century. Their tunability and superior material properties have attracted significant attention from researchers and developers. MXenes exhibit agility in synthesis and processing and possess indispensable properties such as mechanical, electronic, magnetic, and optical characteristics. Consequently, there are seemingly unlimited applications that offer a clear path toward commercialization. This volume covers recent trends in clinical biomedicine, biomimetics, forensics, and nanobiotechnological advancements using unique inorganic nanosystems. It also highlights the potential applications of MXenes in environmental remediation. The target audience includes researchers and material professionals interested in material chemistry involving synthesis, characterization, and applications in advanced materials."-- Provided by publisher.

• Two-Dimensional Inorganic Materials for Energy Storage Applications / Thakur, Nikhil, School of Physics and Materials Science, Shoolini University, Solan 173229, India; Kumar, Pawan, School of Physics and Materials Science, Shoolini University, Solan 173229, India; Sharma, Pankaj, Applied Science Department, National Institute of Technical Teachers Training and Research, Sector 26, Chandigarh 160019, India / http://dx.doi.org/10.1021/bk-2023-1444.ch001
• MXene: Chemistry, Attributes, and Applications for Electrochemical Energy Storage / Srivastava, Pavitra, School of Basic Sciences, Indian Institute of Technology, Mandi (Kamand Campus), Himachal Pradesh, 175005, India; Singh, Chintan, Amity Institute of Forensic Sciences, Amity University Noida, Sector 125, Uttar Pradesh 201301, India; Joshi, Akshat, Centre for BioSystems Science and Engineering, Indian Institute of Science, Bangalore 560012, Karnataka, India; Chatterjee, Kaushik, Centre for BioSystems Science and Engineering, Indian Institute of Science, Bangalore 560012, Karnataka, India, Department of Material Engineering, Indian Institute of Science, Bangalore 560012, Karnataka, India; Nain, Amit, Department of Material Engineering, Indian Institute of Science, Bangalore 560012, Karnataka, India / http://dx.doi.org/10.1021/bk-2023-1444.ch002
• Applications of the MXenes in Li-Ion Batteries / Joseph, Jithu, Department of Chemistry, Indian Institute of Space Science and Technology, Thiruvananthapuram, Kerala, India 695547; Kannan, Sreekala Kunhi, Department of Chemistry, Indian Institute of Space Science and Technology, Thiruvananthapuram, Kerala, India 695547; Krishnendu, K. S., Department of Chemistry, Indian Institute of Space Science and Technology, Thiruvananthapuram, Kerala, India 695547; Joseph, Mary Gladis, Department of Chemistry, Indian Institute of Space Science and Technology, Thiruvananthapuram, Kerala, India 695547 / http://dx.doi.org/10.1021/bk-2023-1444.ch003
• Metal Carbides and Metal Nitrides Composites for Supercapacitor Applications / Garg, Anuj, Department of Physics and Chemistry, Lovely Professional University, Phagwara 144411, India; Mashangva, Tim Tim, Department of Physics and Chemistry, Lovely Professional University, Phagwara 144411, India; Bagri, Upasna, Department of Chemistry, Lovely Professional University, Phagwara 144411, India; Sharma, Ajit, Department of Chemistry, Lovely Professional University, Phagwara 144411, India; Kumar, Deepak, Department of Chemistry, Lovely Professional University, Phagwara 144411, India; Kumar, Mukesh, Department of Physics and Chemistry, Lovely Professional University, Phagwara 144411, India / http://dx.doi.org/10.1021/bk-2023-1444.ch004
• Emerging Nanoengineered 2D MXene-Based Architectures for Supercapacitor Application / Nasrin, Kabeer, Academy of Scientific and Innovative Research (AcSIR), Ghaziabad 201 002, India, Electrochemical Power Sources Division (ECPS), CSIR - Central Electrochemical Research Institute, Karaikudi 630 003, Tamil Nadu, India; Sathish, Marappan, Academy of Scientific and Innovative Research (AcSIR), Ghaziabad 201 002, India, Electrochemical Power Sources Division (ECPS), CSIR - Central Electrochemical Research Institute, Karaikudi 630 003, Tamil Nadu, India / http://dx.doi.org/10.1021/bk-2023-1444.ch005

• Supercapacitor Material Specifications and Functions from MXenes / Ramachandra, Gokul, Centre for Nano and Material Sciences, Jain (Deemed-to-be University), Jain Global Campus, Kanakapura, Bangalore, Karnataka, India 562112; Pathak, Mansi, Centre for Nano and Material Sciences, Jain (Deemed-to-be University), Jain Global Campus, Kanakapura, Bangalore, Karnataka, India 562112; Rout, Chandra Sekhar, Centre for Nano and Material Sciences, Jain (Deemed-to-be University), Jain Global Campus, Kanakapura, Bangalore, Karnataka, India 562112 / http://dx.doi.org/10.1021/bk-2023-1444.ch006
• MXene-Based Hybrid Electrodes for Next-Generation Supercapacitors / Sammed, Khan Abdul, Institute for Advanced Study, Shenzhen University, Shenzhen 518060, Guangdong, China, College of Physics and Optoelectronic Engineering, Shenzhen University, Shenzhen 518060, Guangdong, China; Mustafa, Sumayya, Quaid-i-Azam University, Islamabad 45320, Pakistan; Ajmal, Saira, Institute for Advanced Study, Shenzhen University, Shenzhen 518060, Guangdong, China, College of Physics and Optoelectronic Engineering, Shenzhen University, Shenzhen 518060, Guangdong, China; Ali, Muhammad Furqan, Research Laboratory, Department of Chemical Engineering, University of Karachi, Karachi 75270, Pakistan; Kumar, Anuj, Nano-Technology Research Laboratory, Department of Chemistry, GLA University, Mathura, Uttar Pradesh, 281406, India; Tabish, Mohammad, College of Materials Science and Engineering, Beijing University of Chemical Technology, Beijing 100029, China; Mushtaq, Muhammad Asim, Institute for Advanced Study, Shenzhen University, Shenzhen 518060, Guangdong, China; Yasin, Ghulam, Institute for Advanced Study, Shenzhen University, Shenzhen 518060, Guangdong, China, College of Physics and Optoelectronic Engineering, Shenzhen University, Shenzhen 518060, Guangdong, China / http://dx.doi.org/10.1021/bk-2023-1444.ch007
• Editors' Biographies / http://dx.doi.org/10.1021/bk-2023-1444.ot001

"New Options for Energy Generation and Transmission. MXenes, two-dimensional materials classified as transition metal carbides and nitrides, are currently among the most in-demand materials of the 21st century. Their tunability and superior material properties have attracted significant attention from researchers and developers. MXenes exhibit agility in synthesis and processing and possess indispensable properties such as mechanical, electronic, magnetic, and optical characteristics. Consequently, there are seemingly unlimited applications that offer a clear path toward commercialization. This volume focuses on some of the most crucial challenges of energy generation, storage, and transport in the 21st century. The target audience includes researchers and material professionals interested in material chemistry involving synthesis, characterization, and applications in advanced materials."-- Provided by publisher.

• 2D-Transition Metal Carbides and Nitrides: Prospects and Challenges / Kagalkar, Abhishek, Department of Chemical Engineering, School of Energy Technology, Pandit Deendayal Energy University, Raysan, Gandhinagar, Gujarat 382426, India; Dharaskar, Swapnil, Department of Chemical Engineering, School of Energy Technology, Pandit Deendayal Energy University, Raysan, Gandhinagar, Gujarat 382426, India; Chaudhari, Nitin, Department of Chemistry, School of Energy Technology, Pandit Deendayal Energy University, Raysan, Gandhinagar, Gujarat 382426, India / http://dx.doi.org/10.1021/bk-2023-1445.ch001
• 2D MXenes: A Promising Functionality as an Electrocatalyst / Chauhan, Manish, CSIR-Advanced Materials and Processes Research Institute, Bhopal, Madhya Pradesh, 462026, India, Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India; Singh, Shiv, CSIR-Advanced Materials and Processes Research Institute, Bhopal, Madhya Pradesh, 462026, India, Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India; Kumar, Pradip, CSIR-Advanced Materials and Processes Research Institute, Bhopal, Madhya Pradesh, 462026, India, Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India / http://dx.doi.org/10.1021/bk-2023-1445.ch002
• An Extensive Review on MXenes as Emergent Photovoltaic Materials / Jayan K., Deepthi, Rajagiri School of Engineering & Technology (Autonomous), Kochi, Kerala 682039, India / http://dx.doi.org/10.1021/bk-2023-1445.ch003
• Solar-to-Fuel Conversion: Application of Two-Dimensional Ti3C2T x MXene as Cocatalyst / Dimngaihvungi, Esther, Department of Chemistry, School of Physical Sciences, Mizoram University, Aizawl 796004, Mizoram, India; Singh, Manjeet, Department of Chemistry, School of Physical Sciences, Mizoram University, Aizawl 796004, Mizoram, India; Pani, Balaram, Department of Chemistry, Bhaskaracharya College of Applied Science, University of Delhi, Sector 2, Dwarka, Delhi 110075, India; Singh, Ashish Kumar, Department of Chemistry, Hansraj College, University of Delhi, Delhi 110007, India, Department of Chemistry, Netaji Subhas University of Technology, Dwarka, Sector 3, New Delhi 110078, India / http://dx.doi.org/10.1021/bk-2023-1445.ch004
• Role of MXene as a Catalyst for Hydrogen Synthesis / Shanmughan, Bhavana, Biopolymer Science, CIPET: IPT, Hil Colony, Kochi, India; Kandasubramanian, Balasubramanian, Department of Metallurgical and Materials Engineering, DIAT (D.U.), Ministry of Defence, Girinagar, Pune, India / http://dx.doi.org/10.1021/bk-2023-1445.ch005
• MXenes in Membrane-Based Water Treatment Applications / Kadhom, Mohammed, Department of Environmental Science, College of Energy and Environmental Science, Al-Karkh University of Science, Baghdad 10081, Iraq / http://dx.doi.org/10.1021/bk-2023-1445.ch006
• The Flourishing Application of MXenes for Dielectric-Based Microwave Absorption / Fan, Zhiyuan, School of Materials and Energy, Yunnan University, Kunming 650091, P. R. China; Guan, Hongtao, School of Materials and Energy, Yunnan University, Kunming 650091, P. R. China / http://dx.doi.org/10.1021/bk-2023-1445.ch007
• Editors' Biographies / http://dx.doi.org/10.1021/bk-2023-1445.ot001

"Remarkable Efficacy in Catalysis and Membrane Processes. MXenes, two-dimensional materials classified as transition metal carbides and nitrides, are currently among the most in-demand materials of the 21st century. Their tunability and superior material properties have attracted significant attention from researchers and developers. MXenes exhibit agility in synthesis and processing and possess indispensable properties such as mechanical, electronic, magnetic, and optical characteristics. Consequently, there are seemingly unlimited applications that offer a clear path toward commercialization. This volume focuses on MXenes-based composites and their applications in photocatalysis and electrocatalysis, as well as separation processes within membrane technologies. The target audience includes researchers and material professionals interested in material chemistry involving synthesis, characterization, and applications in advanced materials."-- Provided by publisher.

• Introduction
• Nomenclature of Cycloalkanes
• Synthesis of Cycloalkanes
• Properties of Cycloalkanes
• Chemistry of Small Rings
• Chemistry of Common Ring Compounds
• Chemistry of Medium Sized and Larger Rings
• Conformations of Cycloalkanes
• Cycloalkanes Containing an Heteroatom (Heterocyclic Compounds)
• Non-Benzenoid Aromatics
• Bridged Rings
• The Cage Molecules
• Tropones and Tropolones
• Fluxional Molecules
• Catenanes, Rotaxanes and Knots

This textbook is intended for undergraduate and postgraduate students in organic chemistry. It describes the synthesis and properties of cycloalkanes compounds such as cyclopropane, cyclobutane, cyclopentane, cyclohexane, cycloheptane and cycloheptatriene. It further covers the chemistry of ring compounds. The book also covers the reaction mechanisms of non-benzenoid aromatic compounds including annulenes, metallocenes and azulenes. It further contains discussions on tropone, tropolones, fluxional molecules, catenanes and rotaxanes. End-of-chapter exercises such as multiple-choice questions and short answer-questions help students in self-learning. This textbook is useful for undergraduate and postgraduate students in organic chemistry

• Bridged Lactams as Model Systems for Amidic Distortion / Tyler J Fulton, Yun E Du, Brian M Stoltz
• Modification of Amidic Resonance Through Heteroatom Substitution at Nitrogen: Anomeric Amides / Stephen A Glover, Adam A Rosser
• Amide Bond Activation by Twisting and Nitrogen Pyramidalization / Yuko Otani, Tomohiko Ohwada
• Transition-Metal-Free Reactions of Amides by Tetrahedral Intermediates / Marco Blangetti, Karen Vega-Hernández, Margherita Miele, Vittorio Pace
• Electrophilic Amide Bond Functionalization / Carlos R Gonçalves, Daniel Kaiser
• Transamidation of Carboxamides and Amide Derivatives: Mechanistic Insights, Concepts, and Reactions / Paola Acosta-Guzmán, John Corredor-Barinas, Diego Gamba-Sánchez
• Amide Bond Esterification and Hydrolysis / Kazushi Mashima, Takahiro Hirai, Haruki Nagae
• Activation of Amide C-N Bonds by Nickel Catalysis / Liana Hie, Tejas K Shah
• Pd-NHC Catalysis in Cross-Coupling of Amides / Faez S Alotaibi, Michael R Chhoun, Gregory R Cook
• Cross-Coupling of Amides Through Decarbonylation / Hong Lu, Hao Wei
• Transition Metal-Catalyzed Radical Reactions of Amides / Taline Kerackian, Didier Bouyssi, Nuno Monteiro, Abderrahmane Amgoune
• W einreb Amide as a Multifaceted Directing Group in C - H Activation / Jayabrata Das, Debabrata Maiti
• Computational Studies of Amide C-N Bond Activation / Xin Hong, Pei-Pei Xie, Zhi-Xin Qin, Shuo-Qing Zhang
• Esters as Viable Acyl Cross-Coupling Electrophiles / Omid Daneshfar, Stephen G Newman
• Cross-Coupling of Aromatic Esters by Decarbonylation / Kei Muto, Junichiro Yamaguchi.

• Tentative table of contents: 1) Historical overview 2) Simple electronic and structural models (counting rules) 3) From Organic to Inorganic Aromatic Compounds 4) Stability, Reactivity, and Aromaticity 5) Descriptors of aromaticity: Geometric Criteria 6) Descriptors of aromaticity: Energetic Criteria 7) Descriptors of aromaticity: Magnetic Criteria 8) Descriptors of aromaticity: Electronic Criteria 9) Homoaromaticity 10) Heteroaromaticity 11) Moebius Aromaticity 12) Sigma, pi, delta, and phi Aromaticity 13) Distortivity of pi-electrons 14) Fullerenes and 3D-Aromaticity 15) Excited state aromaticity.
• (source: Nielsen Book Data)

Aromaticity and Antiaromaticity A comprehensive review of the science of aromaticity, as well as its evolution, from benzene to atomic clusters In Aromaticity and Antiaromaticity: Concepts and Applications, a team of accomplished chemists delivers a comprehensive exploration of the evolution and critical aspects of aromaticity. The book examines the new global criteria used to evaluate aromaticity, including the Nucleus Independent Chemical Shift (NICS) index and the electronic indices based on electronic properties. Additional discussions of inorganic aromatic compounds developed in this century, which give rise to new concepts like multifold aromaticity, are included. Three-dimensional aromaticity found in fullerenes and nanotubes, Moebius aromaticity present in some annulenes, and excited state aromaticity are explored as well. This volume explores the geometrical, electronic, magnetic, and thermodynamic characteristics of aromatic and antiaromatic compounds and their reactivity properties. It also provides: A thorough historical overview of aromaticity, as well as simple electronic and structural models Comprehensive explorations of organic and inorganic aromatic compounds, concepts of stability and reactivity, and geometric, energetic, magnetic, and electronic criteria of descriptors of aromaticity Practical discussions of heteroaromaticity, as well as Moebius aromaticity and excited state aromaticity In-depth examinations of sigma, pi, delta, and phi aromaticity Perfect for graduate students, researchers, and academics interested in aromaticity, organometallic chemistry, and computational chemistry, Aromaticity and Antiaromaticity: Concepts and Applications will also earn a place in the libraries of professionals and researchers working in organic, inorganic, and physical chemistry.
(source: Nielsen Book Data)

• Asymmetric Autocatalysis: The Soai Reaction, an Overview--Asymmetric Autocatalysis Initiated by Enantioenriched Chiral Organic Compounds: The Link Between Circularly Polarized Light and Nearly Enantiopure Organic Compounds--Asymmetric Autocatalysis Triggered by the Chirality of Minerals, Organic Crystals and Surfaces--Absolute Asymmetric Synthesis in the Soai Reaction--Isotope Chirality and Cosmochemistry--Reaction Mechanism in the Study of Amplifying Asymmetric Autocatalysis--Spontaneous Emergence of Chirality in Autocatalytic Cycle Models of the Soai Reaction--Mechanism of the Soai Reaction - DFT and Kinetic Computations of the Catalytic Cycle--Stochastic Modelling of Asymmetric Autocatalysis in the Soai Reaction--Demystifying the Soai Reaction--Elucidation of Soai's Asymmetric Autocatalysis--Structure Analysis of Asymmetric Autocatalysis by X-ray Crystallography and Circular Dichroism Spectroscopy--Symmetry Breaking in a Heterogenous Phase: Intriguing Intermediates and Side-products During Asymmetric Amplification--Unusual Aspects of Asymmetric Induction and Amplification Observed in the Soai Reaction.
• (source: Nielsen Book Data)

Asymmetric autocatalysis is a reaction in which chiral compound acts as a chiral catalyst for its own production. The process is a catalytic automultiplication of the chiral compound leading to an end product with a high enantiomeric excess. It has advantages over non-autocatalytic reactions because the amount of catalyst increases and no loss or deterioration of the catalyst is observed. Additionally, because the catalyst and product have the same structure, the separation of product from the catalyst is not necessary. Asymmetric Autocatalysis provides a comprehensive introduction to the topic of autocatalysis and an in-depth review of the current state of the research. Edited by a team including Professor Kenso Soai, who first described these types of reaction, and written by experts from around the world this book is a great resource for anyone with an interest in organic synthesis, catalysis and chirality.
(source: Nielsen Book Data)

• Front Matter
• New Catalysts and Activation Strategies in Asymmetric Organocatalysis. New Developments in Enantioselective Brønsted Acid Catalysis with Strong Hydrogen Bond Donors / Caroline Dorsch, Christoph Schneider
• Organosuperbases - Moving Beyond Classical Brønsted Base Catalysis / Azusa Kondoh, Masahiro Terada
• Asymmetric Phase-Transfer Catalysis - From Classical Applications to New Concepts / Jan Otevrel, Mario Waser
• Asymmetric Ion-Pairing and H-Bonding Catalysis / Esteban Matador, Rosario Fernández, José M Lassaletta, David Monge
• Isothiourea Catalysis - New Opportunities for Asymmetric Synthesis / Alastair J Nimmo, Claire M Young, Andrew D Smith
• Halogen-Bonding Organocatalysis - New Opportunities for Asymmetric Synthesis / Mikk Kaasik, Tõnis Kanger
• Merging Organocatalysis with Light - New Opportunities for Asymmetric Synthesis / José Alemán, Leyre Marzo, Jose A Fernández-Salas, Alberto Fraile
• Asymmetric Electrochemical Organocatalysis: New Opportunities for Synthesis / Yingdong Duan, Qifeng Lin, Sanzhong Luo
• Synergistic Organo-Organocatalysis / Fabio Pesciaioli, Valeria Nori, Arianna Sinibaldi, Armando Carlone
• Merging Organocatalysis with Metals - New Opportunities for Asymmetric Synthesis / Ramon Rios
• Immobilized Organocatalysts for Enantioselective Continuous Flow Processes / Carles Rodríguez-Escrich, Miquel A Pericàs
• Mechanochemistry and High-Pressure Techniques in Asymmetric Organocatalysis / Rafał Kowalczyk
• Organocatalytic Reactions Under Nontraditional Conditions / C Gabriela Ávila-Ortiz, Alberto Vega-Peñaloza, Eusebio Juaristi
• New Organocatalytic Synthetic Methodologies. Merging Organocatalysis with Vinylogy - New Opportunities for Asymmetric Synthesis / Claudio Curti, Andrea Sartori, Lucia Battistini, Franca Zanardi
• Organocatalytic Umpolung Strategies: Beyond Classical Reactivity Patterns / Sayan Shee, Arghya Ghosh, Akkattu T Biju
• Dearomative Organocatalytic Strategies / Xue Song, Zhi-Chao Chen, Wei Du, Ying-Chun Chen
• From Organocatalytic Cycloadditions to Asymmetric Higher-Order Cycloadditions / Karl Anker Jørgensen, K N Houk
• Asymmetric Organocatalysis - From a Process Development Perspective / Hao Jiang, Björn Gschwend, Yang Li
• Mechanisms of Organocatalytic Reactions. Computational Studies - A Useful Tool in Elucidation of Mechanisms of Organocatalytic Reactions / Simarpreet Singh, Jorge Dourado, Rebecca L Davis
• A Tutorial on Kinetic-Assisted Mechanistic Analysis in Asymmetric Aminocatalysis / Jordi Burés, Alan Armstrong, Donna G Blackmond
• Mayr Linear Free Energy Relationship: A Powerful Tool for Understanding Aminocatalyzed Reactions / Sami Lakhdar.

• 1. Introduction to the barocaloric effect / Pol Lloveras and Josep-Lluís Tamarit
• 2. Barocaloric effects in polymers / Alexander Magnus G. Carvalho, Lucas S. Paixaäo and William Imamura
• 3. Barocaloric effect in magnetic and non-magnetic solid materials : theoretical approach and applications / Nilson Antunes de Oliveira
• 4. Barocaloric effect in ferroelastic fluorides and oxyfluorides / Igor N. Flerov, Evgeniy V. Bogdanov and Mikhail V. Gorev
• 5. Spin crossover complexes for barocaloric cooling / Karl G. Sandeman and Malcolm A. Halcrow
• 6. Hybrid organic-inorganic materials : introducing soft barocaloric materials for low-pressure applications / Javier García-Ben, Ignacio Delgado-Ferreiro, Jorge Salgado-Beceiro and Juan Manuel Bermúdez-García
• 7. Colossal barocaloric plastic crystals / Pol Lloveras, Zhe Zhang, Ming Zeng, María Barrio, Yukinobu Kawakita, Dehong Yu, Shangchao Lin, Kuo Li, Xavier Moya, Josep-Lluís Tamarit and Bing Li
• 8. Atomistic simulation of barocaloric effects / Claudio Cazorla
• 9. The use of the barocaloric effect for refrigeration : an evaluation of the energy performances and the environmental impact / Luca Cirillo, Adriana Greco and Claudia Masselli.

This text covers the wealth of barocaloric materials science while presenting an array of advanced research methods, both standard and custom-built, lab-scale and large-scale, experimental, theoretical and modelling. Topics include barocaloric effects in polymers, magnetic materials, ferroelastic fluorides and oxyfluorides, spin crossover complexes, hybrid perovskites and plastic crystals. The book also includes atomic simulations of barocaloric effects, and an evaluation of the energy performances and the environmental impact of the barocaloric effect for refrigeration. This book brings together the most relevant knowledge generated so far, comprehensively and in detail, in order to serve as a basis for graduate students as well as experienced researchers interested in entering the field.

• GENERAL SECTION:
• CHEMOINFORMATICS AND BIOINFORMATICS BY DISCRETE MATHEMATICS AND NUMBERS: An adventure from small data to the realm of emerging big data Robustness Concerns in High-dimensional Data Analysis and Potential Solutions The Social Face of Big Data: Privacy, Transparency, Bias and Fairness in Algorithms CHEMISTRY & CHEMOINFORMATICS SECTION:
• Integrating data into a complex Adverse Outcome Pathway Big data and deep learning: extracting and revising chemical knowledge from data Retrosynthetic space persuades by big data descriptors, by Claudiu N Lungu Approaching history of chemistry through big data on chemical reactions and compounds Combinatorial Techniques for Large Data Sets: Hypercubes and Halocarbons Development of QSAR/QSPR/QSTR models based on Electrophilicity index: A Conceptual DFT based descriptor Pharmacophore based virtual screening of large compound databases can aid "big data" problems in drug discovery A New Robust Classifier to Detect Hot-Spots and Null-Spots in Protein-Protein Interface: Validation of Binding Pocket and Identification of Inhibitors in in-vitro and in-vivo Models Mining Big Data in Drug Discovery - Triaging and Decision Trees BIOINFORMATICS AND COMPUTATIOANL TOXICOLOGY SECTION:
• Use of proteomics data and proteomics based biodescriptors in the estimation of bioactivity/ toxicity of chemicals and nanosubstances Mapping Interaction between Big spaces-- active space from Protein structure and available chemical space Artificial Intelligence, Big Data and Machine Learning approaches in Genome-wide SNP based prediction for Precision Medicine & Drug Discovery Applications of alignment-free sequence descriptors (AFSDs) in the characterization of sequences in the age of big data: A case study with Zika virus, SARS, MERS, and COVID-19 Scalable QSAR Systems for Predictive Toxicology From big data to complex network: a navigation through the maze of drug-target interaction Dissecting big RNA-Seq cancer data using machine learning to find disease-associated genes and the causal mechanism.
• (source: Nielsen Book Data)

Big Data Analytics in Chemoinformatics and Bioinformatics: With Applications to Computer-Aided Drug Design, Cancer Biology, Emerging Pathogens and Computational Toxicology provides an up-to-date presentation of big data analytics methods and their applications in diverse fields. The proper management of big data for decision-making in scientific and social issues is of paramount importance. This book gives researchers the tools they need to solve big data problems in these fields. It begins with a section on general topics that all readers will find useful and continues with specific sections covering a range of interdisciplinary applications. Here, an international team of leading experts review their respective fields and present their latest research findings, with case studies used throughout to analyze and present key information.
(source: Nielsen Book Data)

• PART I MY CONTRIBUTIONS TO INORGANIC CHEMISTRY
• 1. Exploratory Chemistry with a Multifunctional Model Borane, B10H14
• 2. Discovery of the Polyhedral Borane Anions [closo-B10H10]2-
• 3.The Genesis and Evolution of Carborane Chemistry: Examples of Heteroatom-Substituted Borane Clusters
• 4. The Design and Synthesis of Hybrid Borane Clusters: Metallacarboranes and Metallaboranes
• 5. Probing New Reactions: Oxidative Addition to B-H Bonds, Reactions at Metal Vertices and Catalysis
• 6
• The Search for Clustered Clusters
• 7. Unique Main Group, Lanthanide and Alkaline-Earth Metallacarboranes; Sandwiches, Baskets, and Self-Assembled Chains
• 8. Biomedical Applications of Borane Cluster Chemistry
• 9.Carborane-Supported Macrocyclic Lewis Acids: Novel Electrophilic Host Species
• 10. Molecular Frameworks Based upon Carborane Cages
• 11.Highly Alkylated Carborane Icosahedral [closo-B12H12]2- Derivatives (Camouflaged Carboranes and Polyhedral Boranes)
• 12. Icosahedral Borane Dianion and Carborane Species with Hydroxylated Surfaces
• 13. Advances in [closo-B10H10]2- and Related [B20H18]2-/[B20H18]4 Chemistry
• A FEW PHOTOGRAPHS FROM THE ALBUM
• PART II MY PERSONAL STORY
• 14. Early Life in Kansas and Missouri
• 15. WW II, High School and Chemistry
• 16. College Entry and Chemistry Mentor
• 17. Pomona College and Research
• 18. UCLA Graduate Work with Donald J. Cram, and Predoctoral Fellowship
• 19. PhD Thesis
• 20. Postdoctoral Research with George Hammond at Iowa State
• 21. Huntsville Research at Start of Career
• 22. Life With Explosives and Rockets
• 23. Creating A New Research Group Based Upon Sparsely Known Borane Chemistry
• 24. Success in New Fields of Propellant Chemistry
• 25. Moving on to New Concepts for Solid Propellant Rocket Fuel
• 26. Energetic Materials
• 27. Ralph Connor and Rohm and Haas Huntsville
• 28. Harvard Teaching
• 29. Laboratory Head at Rohm and Haas Philadelphia
• 30. Full Professor at UC Riverside and Flying
• 31. Metallacarboranes etc
• 32. Flying with Herb Brown, Nobel Laureate
• 33. Hank Herring
• 34. Industrial and Military Consulting
• 35. Boron Neutron Capture Therapy
• 36. UCLA Professor 1969 to 2006
• 37. Editorship of Inorganic Chemistry
• 38. Return to Missouri: The Founding Director for The International Institute of Nano and Molecular Medicine
• 39. Personal Experience with Head and Neck Cancer
• 40. BNCT Odyssey
• AFTER-WORDS
• BIBLIOGRAPHY
• AWARDS, HONORS AND LECTURESHIPS.

Tracing the life of a giant in inorganic chemistry and key trends in his science, Boranes and Beyond follows Hawthorne from his mid-American origins to the halls of Harvard and UCLA and back again. It naturally details the accomplishments in his lab. This book is a fascinating mixture of science and autobiography. Prof. Hawthorne won the Priestley Medal, the highest award of the American Chemical Society, for his pioneering work in elucidating the chemistry of boron. He has chronicled in this book the developments in his lab which ultimately led to this achievement. Not content to rest on his laurels, after retiring from UCLA Prof. Hawthorne explored the use of boron in biomedicine and directed the International Institute of Nano & Molecular Medicine at the University of Missouri-Columbia.