Pratim Kumar Chattaraj obtained his Ph.D. degree from the Indian Institute of Technology (IIT) Bombay (India) in 1988 under the supervision of Professor B. M. Deb. Currently he is an Institute Chair Professor in IIT Kharagpur (India). He is also a Distinguished Visiting Professor at IIT Bombay. He was a Research Associate at the University of North Carolina, Chapel Hill (USA) with Professor Robert G. Parr and also at the FAU, Erlangen‐Nürnberg (Germany) with Professor Paul v. R. Schleyer. He has been actively engaged in research in the areas of density functional theory, ab initio calculations, nonlinear dynamics, aromaticity in metal clusters, hydrogen storage, noble gas compounds, machine learning, chemical reactivity and quantum trajectories. He is a coauthor of more than 380 scientific publications. Sudip Pan was born in West Bengal, India on 10th April, 1987. He received his master’s degree in chemistry from Vidyasagar University, India and obtained his Ph.D. degree from the Indian Institute of Technology Kharagpur, India, in 2016 under the supervision of Prof. Pratim K. Chattaraj. In the same year, he moved to work as a Postdoctoral Fellow at Cinvestav, Merida, Mexico, under Prof. Gabriel Merino. Toward the end of 2017, he moved to Nanjing Tech University, China, for another postdoctoral stay under Prof. Gernot Frenking and Prof. Lili Zhao where he is presently working. His research interests include the theoretical predictions of systems having unusual bonding and properties. He is a coauthor of more than 100 scientific publications. Gabriel Merino was born in Puebla, Mexico, in 1975. He received his Ph.D. in 2003 under the supervision of Alberto Vela. After postdoctoral stages in TU Dresden (Thomas Heine and Gotthard Seifert) and Cornell University (Roald Hoffmann), he was Professor at Universidad de Guanajuato from 2005-2011. He became Professor in Centro de Investigación y de Estudios Avanzados (Cinvestav) in Mérida, Mexico in 2012. He is member of the Advisor Board of Chemical Science (RSC), ChemistrySelect (Wiley), and the International Journal of Quantum Chemistry (Wiley) and Associate Editor of RSC Advances (RSC). He obtained the Research Award from the Academia Mexicana de Ciencias (2012), the Marcos Moshinsky Award (2012), and the Walter Kohn Award (2018) by the International Center of Theoretical Physics. His research interests include nonclassical carbon and boron systems, aromaticity, and chemical bond.

• Part 1: Introductory Information About Experimental and Theoretical Tools in Cluster Chemistry1. Introduction to Cluster Chemistry2. The Essence and Application of Global Minima Searching Code in Cluster Chemistry3. Modern Experimental Techniques to Generate and Characterize Atomic ClustersPart 2: Unusual Structural Diversity in Clusters4. Clusters with Planar Tetracoordinate Carbon5. Clusters with Planar Pentacoordinate Carbon and beyond6. Boron Nanorotors in Cluster Chemistry7. Boron Buckyball and Reactivityin Cluster Chemistry8. Clusters with Ultrashort Bond Distance9. Molecular Stars in Cluster Chemistry10. Highly Symmetric Nanoclusters11. Zwitterionic Clusters12. Bimetallic Clusters: Effect of Doping on Stability and Reactivity13. Inorganic Double-Helix in Cluster Chemistry14. Nanowheels in Cluster Chemistry15. Sandwiches and Inverse Sandwiches in Cluster ChemistryPart 3: Reactivity and Application of Clusters16. Clusters with Reactivity towards Noble Gas17. Carbon Monoxide and Dinitrogen Fixation by Clusters18. Clusters with Catalytic Property19. Superalkali and Superhalogen Property of Clusters20. Cluster Assisted Water-Splitting21. Relativistic Effects Induced Reactivity in Gold Clusters22. Hydrogen Storage Perspective of Clusters

Pratim Kumar Chattaraj obtained his Ph.D. degree from the Indian Institute of Technology (IIT) Bombay (India) in 1988 under the supervision of Professor B. M. Deb. Currently he is an Institute Chair Professor in IIT Kharagpur (India). He is also a Distinguished Visiting Professor at IIT Bombay. He was a Research Associate at the University of North Carolina, Chapel Hill (USA) with Professor Robert G. Parr and also at the FAU, Erlangen‐Nürnberg (Germany) with Professor Paul v. R. Schleyer. He has been actively engaged in research in the areas of density functional theory, ab initio calculations, nonlinear dynamics, aromaticity in metal clusters, hydrogen storage, noble gas compounds, machine learning, chemical reactivity and quantum trajectories. He is a coauthor of more than 380 scientific publications. Sudip Pan was born in West Bengal, India on 10th April, 1987. He received his master’s degree in chemistry from Vidyasagar University, India and obtained his Ph.D. degree from the Indian Institute of Technology Kharagpur, India, in 2016 under the supervision of Prof. Pratim K. Chattaraj. In the same year, he moved to work as a Postdoctoral Fellow at Cinvestav, Merida, Mexico, under Prof. Gabriel Merino. Toward the end of 2017, he moved to Nanjing Tech University, China, for another postdoctoral stay under Prof. Gernot Frenking and Prof. Lili Zhao where he is presently working. His research interests include the theoretical predictions of systems having unusual bonding and properties. He is a coauthor of more than 100 scientific publications. Gabriel Merino was born in Puebla, Mexico, in 1975. He received his Ph.D. in 2003 under the supervision of Alberto Vela. After postdoctoral stages in TU Dresden (Thomas Heine and Gotthard Seifert) and Cornell University (Roald Hoffmann), he was Professor at Universidad de Guanajuato from 2005-2011. He became Professor in Centro de Investigación y de Estudios Avanzados (Cinvestav) in Mérida, Mexico in 2012. He is member of the Advisor Board of Chemical Science (RSC), ChemistrySelect (Wiley), and the International Journal of Quantum Chemistry (Wiley) and Associate Editor of RSC Advances (RSC). He obtained the Research Award from the Academia Mexicana de Ciencias (2012), the Marcos Moshinsky Award (2012), and the Walter Kohn Award (2018) by the International Center of Theoretical Physics. His research interests include nonclassical carbon and boron systems, aromaticity, and chemical bond.

• Part 1: Introductory Information About Experimental and Theoretical Tools in Cluster Chemistry1. Introduction to Cluster Chemistry2. The Essence and Application of Global Minima Searching Code in Cluster Chemistry3. Modern Experimental Techniques to Generate and Characterize Atomic ClustersPart 2: Unusual Structural Diversity in Clusters4. Clusters with Planar Tetracoordinate Carbon5. Clusters with Planar Pentacoordinate Carbon and beyond6. Boron Nanorotors in Cluster Chemistry7. Boron Buckyball and Reactivityin Cluster Chemistry8. Clusters with Ultrashort Bond Distance9. Molecular Stars in Cluster Chemistry10. Highly Symmetric Nanoclusters11. Zwitterionic Clusters12. Bimetallic Clusters: Effect of Doping on Stability and Reactivity13. Inorganic Double-Helix in Cluster Chemistry14. Nanowheels in Cluster Chemistry15. Sandwiches and Inverse Sandwiches in Cluster ChemistryPart 3: Reactivity and Application of Clusters16. Clusters with Reactivity towards Noble Gas17. Carbon Monoxide and Dinitrogen Fixation by Clusters18. Clusters with Catalytic Property19. Superalkali and Superhalogen Property of Clusters20. Cluster Assisted Water-Splitting21. Relativistic Effects Induced Reactivity in Gold Clusters22. Hydrogen Storage Perspective of Clusters

Pratim Kumar Chattaraj obtained his Ph.D. degree from the Indian Institute of Technology (IIT) Bombay (India) in 1988 under the supervision of Professor B. M. Deb. Currently he is an Institute Chair Professor in IIT Kharagpur (India). He is also a Distinguished Visiting Professor at IIT Bombay. He was a Research Associate at the University of North Carolina, Chapel Hill (USA) with Professor Robert G. Parr and also at the FAU, Erlangen‐Nürnberg (Germany) with Professor Paul v. R. Schleyer. He has been actively engaged in research in the areas of density functional theory, ab initio calculations, nonlinear dynamics, aromaticity in metal clusters, hydrogen storage, noble gas compounds, machine learning, chemical reactivity and quantum trajectories. He is a coauthor of more than 380 scientific publications. Sudip Pan was born in West Bengal, India on 10th April, 1987. He received his master’s degree in chemistry from Vidyasagar University, India and obtained his Ph.D. degree from the Indian Institute of Technology Kharagpur, India, in 2016 under the supervision of Prof. Pratim K. Chattaraj. In the same year, he moved to work as a Postdoctoral Fellow at Cinvestav, Merida, Mexico, under Prof. Gabriel Merino. Toward the end of 2017, he moved to Nanjing Tech University, China, for another postdoctoral stay under Prof. Gernot Frenking and Prof. Lili Zhao where he is presently working. His research interests include the theoretical predictions of systems having unusual bonding and properties. He is a coauthor of more than 100 scientific publications. Gabriel Merino was born in Puebla, Mexico, in 1975. He received his Ph.D. in 2003 under the supervision of Alberto Vela. After postdoctoral stages in TU Dresden (Thomas Heine and Gotthard Seifert) and Cornell University (Roald Hoffmann), he was Professor at Universidad de Guanajuato from 2005-2011. He became Professor in Centro de Investigación y de Estudios Avanzados (Cinvestav) in Mérida, Mexico in 2012. He is member of the Advisor Board of Chemical Science (RSC), ChemistrySelect (Wiley), and the International Journal of Quantum Chemistry (Wiley) and Associate Editor of RSC Advances (RSC). He obtained the Research Award from the Academia Mexicana de Ciencias (2012), the Marcos Moshinsky Award (2012), and the Walter Kohn Award (2018) by the International Center of Theoretical Physics. His research interests include nonclassical carbon and boron systems, aromaticity, and chemical bond.

• Part 1: Introductory Information About Experimental and Theoretical Tools in Cluster Chemistry1. Introduction to Cluster Chemistry2. The Essence and Application of Global Minima Searching Code in Cluster Chemistry3. Modern Experimental Techniques to Generate and Characterize Atomic ClustersPart 2: Unusual Structural Diversity in Clusters4. Clusters with Planar Tetracoordinate Carbon5. Clusters with Planar Pentacoordinate Carbon and beyond6. Boron Nanorotors in Cluster Chemistry7. Boron Buckyball and Reactivityin Cluster Chemistry8. Clusters with Ultrashort Bond Distance9. Molecular Stars in Cluster Chemistry10. Highly Symmetric Nanoclusters11. Zwitterionic Clusters12. Bimetallic Clusters: Effect of Doping on Stability and Reactivity13. Inorganic Double-Helix in Cluster Chemistry14. Nanowheels in Cluster Chemistry15. Sandwiches and Inverse Sandwiches in Cluster ChemistryPart 3: Reactivity and Application of Clusters16. Clusters with Reactivity towards Noble Gas17. Carbon Monoxide and Dinitrogen Fixation by Clusters18. Clusters with Catalytic Property19. Superalkali and Superhalogen Property of Clusters20. Cluster Assisted Water-Splitting21. Relativistic Effects Induced Reactivity in Gold Clusters22. Hydrogen Storage Perspective of Clusters