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Describes recent advances and the future of energetic materials as well as remediation strategies Includes contributions from theoretical and experime...Savoir plus
This is the first edited volume that features two important frameworks, Hückel and quantum chemical topological analyses. The contributors, which incl...Savoir plus
The incessant development of quantum chemistry since the appearance of the Schrodinger ] equation has turned this area into a respectable branch of sc...Savoir plus
Non-Linear Optical Properties of Matter: From Molecules to Condensed Phases attempts to draw together both theory and application in this field. As su...Savoir plus
This contributed volume offers a comprehensive discussion on how to design and discover pharmaceuticals using computational modeling techniques. The d...Savoir plus
Describes recent advances and the future of energetic materials as well as remediation strategies Includes contributions from theoretical and experime...Savoir plus
This contributed volume presents chapters integrating experimental and computational advances in materials research and discusses how the potential re...Savoir plus
This contributed volume offers a comprehensive discussion on how to design and discover pharmaceuticals using computational modeling techniques. The d...Savoir plus
This multi-author contributed volume includes methodological advances and original applications to actual chemical or biochemical phenomena which were...Savoir plus
This contributed volume overviews recently presented approaches for carrying out QSPR/QSAR analysis by using a simplifying molecular input-line entry ...Savoir plus
On the Automatic Construction of QM/MM Models for Biological Photoreceptors: Rhodopsins as Model Systems.- Photo-Active Biological Molecular Materials...Savoir plus
The field of atomic clusters continues to attract great interest amongst physicists and chemists alike. This is in part due to their intrinsic propert...Savoir plus
"Multi-scale Quantum Models for Biocatalysis" explores various molecular modelling techniques and their applications in providing an understanding of ...Savoir plus
This contributed volume explores the application of machine learning in predictive modeling within the fields of materials science, nanotechnology, an...Savoir plus
This multi-author contributed volume includes methodological advances and original applications to actual chemical or biochemical phenomena which were...Savoir plus
Computational methods, and in particular quantum chemistry, have taken the lead in our growing understanding of noncovalent forces, as well as in thei...Savoir plus
This contributed volume focuses on the application of machine learning and cheminformatics in predictive modeling for organic materials, polymers, sol...Savoir plus
The field of atomic clusters continues to attract great interest amongst physicists and chemists alike. This is in part due to their intrinsic propert...Savoir plus
This book presents recently developed computational approaches for the study of reactive materials under extreme physical and thermodynamic conditions...Savoir plus
Recent Progress in Perovskite Solar Cell: Fabrication, Efficiency, and Stability.- State-of-the-Art of Solution-Processed Crystalline Silicon/Organic ...Savoir plus
This multi-author edited volume reviews the recent developments in boron chemistry, with a particular emphasis on the contribution of computational ch...Savoir plus
This book provides a comprehensive review of both traditional and cutting-edge methodologies that are currently used in computational toxicology and s...Savoir plus
"Relativistic Methods for Chemists", written by a highly qualified team of authors, is targeted at both experimentalists and theoreticians interested ...Savoir plus
This book reviews various aspects of molecular spectroscopy and its application in materials science, chemistry, physics, medicine, the arts and the e...Savoir plus