Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology
Author: Ireneusz Grabowski
Publisher: Springer Nature
Published:
Total Pages: 300
ISBN-13: 3031520785
DOWNLOAD EBOOKRead and Download eBook Full
Author: Ireneusz Grabowski
Publisher: Springer Nature
Published:
Total Pages: 300
ISBN-13: 3031520785
DOWNLOAD EBOOKAuthor: V.P. Gupta
Publisher: Academic Press
Published: 2015-10-15
Total Pages: 480
ISBN-13: 0128035013
DOWNLOAD EBOOKPrinciples and Applications of Quantum Chemistry offers clear and simple coverage based on the author's extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules. - Simplified mathematical content and derivations for reader understanding - Useful overview of advances in the field such as Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) - Accessible level for students and researchers interested in the use of quantum chemistry tools
Author: K. P. Lawley
Publisher: John Wiley & Sons
Published: 2009-09-08
Total Pages: 618
ISBN-13: 047014307X
DOWNLOAD EBOOKShows the diversity and sophistication of present knowledge of molecular collisions and the forces that govern their outcome, examining major aspects from the point of view of the potential surface. Covers such topics as angle dependent potentials, vibranic coupling, and branching ratios in simple atomic reactions.
Author: Keith J. Laidler
Publisher: Elsevier
Published: 2013-10-22
Total Pages: 380
ISBN-13: 1483157741
DOWNLOAD EBOOKFrontiers of Chemistry reviews the plenary and keynote lectures presented in the 28th International Union of Pure and Applied Chemistry (IUPAC) Congress. The book discusses the future development and applications of chemistry. The text is divided into two main parts, where the first part covers the plenary lectures and the second part covers the keynote lectures. Part 2 is organized into sections, according to contents, such as the role of chemistry in the solution of energy problems; the study of the environment; and the beneficiation of resources. The book will be of great interest to chemists, since it tackles topics that are significant in the advancement of the field of chemistry.
Author: Antonio Laganà
Publisher: Springer Science & Business Media
Published: 2006-03-28
Total Pages: 498
ISBN-13: 1402021658
DOWNLOAD EBOOKProceedings of the NATO Advanced Research Workshop, held in Balatonföldvár, Hungary, 8-12 June 2003
Author: United States. Congress. House. Committee on Science and Technology. Subcommittee on Energy Development and Applications
Publisher:
Published: 1985
Total Pages: 1160
ISBN-13:
DOWNLOAD EBOOKAuthor: Lawrence Berkeley Laboratory. Materials and Molecular Research Division
Publisher:
Published: 1986
Total Pages: 340
ISBN-13:
DOWNLOAD EBOOKAuthor:
Publisher:
Published: 1973
Total Pages: 180
ISBN-13:
DOWNLOAD EBOOKAuthor: Sergio Rampino
Publisher: Elsevier
Published: 2022-05-16
Total Pages: 296
ISBN-13: 0323908667
DOWNLOAD EBOOKChemistry at the Frontier with Physics and Computer Science: Theory and Computation shows how chemical concepts relate to their physical counterparts and can be effectively explored via computational tools. It provides a holistic overview of the intersection of these fields and offers practical examples on how to solve a chemical problem from a theoretical and computational perspective, going from theory to models, methods and implementation. Sections cover both sides of the Born-Oppenheimer approximation (nuclear dynamics and electronic structure), chemical reactions, chemical bonding, and cover theory to practice on three related physical problems (wavepacket dynamics, Hartree-Fock equations and electron-cloud redistribution). Drawing on the interdisciplinary knowledge of its expert author, this book provides a contemporary guide to theoretical and computational chemistry for all those working in chemical physics, physical chemistry and related fields. - Combines a 'big picture' overview of chemistry as it relates to physics and computer science, including detailed guidance on tackling chemistry problems from both theoretical and computational perspectives - Treats nuclear dynamics and electronic structure on the same footing in discussions of the Born-Oppenheimer approximation - Includes examples of scientific programming in modern Fortran for problems related to the modeling of chemical reaction dynamics and the analysis of chemical bonding
Author: Shayne Cox Gad
Publisher: John Wiley & Sons
Published: 2008-03-21
Total Pages: 1352
ISBN-13: 0470249021
DOWNLOAD EBOOKA clear, straightforward resource to guide you through preclinical drug development Following this book's step-by-step guidance, you can successfully initiate and complete critical phases of preclinical drug development. The book serves as a basic, comprehensive reference to prioritizing and optimizing leads, dose formulation, ADME, pharmacokinetics, modeling, and regulations. This authoritative, easy-to-use resource covers all the issues that need to be considered and provides detailed instructions for current methods and techniques. Each chapter is written by one or more leading experts in the field. These authors, representing the many disciplines involved in preclinical toxicology screening and testing, give you the tools needed to apply an effective multidisciplinary approach. The editor has carefully reviewed all the chapters to ensure that each one is thorough, accurate, and clear. Among the key topics covered are: * Modeling and informatics in drug design * Bioanalytical chemistry * Absorption of drugs after oral administration * Transporter interactions in the ADME pathway of drugs * Metabolism kinetics * Mechanisms and consequences of drug-drug interactions Each chapter offers a full exploration of problems that may be encountered and their solutions. The authors also set forth the limitations of various methods and techniques used in determining the safety and efficacy of a drug during the preclinical stage. This publication should be readily accessible to all pharmaceutical scientists involved in preclinical testing, enabling them to perform and document preclinical safety tests to meet all FDA requirements before clinical trials may begin.