Elliot R. Bernstein – författare

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3 produkter

Intra- and Intermolecular Interactions between Non-covalently Bonded Species

AvElliot R. Bernstein

Häftad, Engelska, 2020

1 895 kr

Skickas inom 10-15 vardagar

The study of gases, clusters, liquids, and solids as units or systems, eventually focuses on the properties of these systems as governed by interactions between atoms, molecules, and radicals that are not covalently bonded to one another. The stereo/spatial properties of molecular species themselves are similarly controlled, with such interactions found throughout biological, polymeric, and cluster systems and are a central feature of chemical reactions. Nevertheless, these interactions are poorly described and characterized, with efforts to do so, usually based on a particular quantum or even classical mechanical procedure, obscuring the fundamental nature of the interactions in the process.

Intra- and Intermolecular Interactions Between Noncovalently Bonded Species addresses this issue directly, defining the nature of the interactions and discussing how they should and should not be described. It reviews both theoretical developments and experimental procedures in order to explore interactions between nonbonded entities in such a fundamental manner as to elucidate their nature and origins.

Drawing attention to the extensive experience of its editor and team of expert authors, Intra- and Intermolecular Interactions Between Noncovalently Bonded Species is an indispensable guide to the foundational knowledge, latest advances, most pressing challenges, and future directions for all those whose work is influenced by these interactions.

Comprehensively describes the nature of interactions between nonbonded species in biological systems, liquids, crystals, clusters, and in particular, water. Combines fundamental, theoretical, background information based on various approximations with the knowledge of experimental techniques. Outlines interactions clearly and consistently with a particular focus on frequency and time-resolved spectroscopies as applied to these interactions.

Chemical Reactions in Clusters

AvElliot R. Berstein,Elliot R. Bernstein

Inbunden, Engelska, 1996

2 462 kr

Skickas inom 5-8 vardagar

Over the last five years there have been important developments in the area of cluster chemistry. This book is targeted at those working in the laboratory as well as theoretical researchers who need to be brought completely up-to-date with these recent developments. The chapters are largely experimental but contain a heavy emphasis on theory. The cluster reactions reviewed in this work include electron and proton transfer reactions, hot atom reactions, vibrational predissociation, radical reactions, and ionic reactions.

Del 7 - IISc Lecture Notes Series

Introduction To Time-dependent Quantum Mechanics With Python

AvAtanu Bhattacharya,Elliot R Bernstein

Inbunden, Engelska, 2023

1 466 kr

Skickas inom 3-6 vardagar

Computational spectroscopy and computational quantum chemical dynamics is a vast field in physical chemistry. Significant part of this field is developed based on the concepts of time-dependent quantum mechanics and its numerical implementations.This book gives an introduction to the Time-Dependent Quantum Chemistry for use with any introductory college/university course in optics, spectroscopy, kinetics, dynamics, or experimental physical chemistry or chemical physics of the kind usually taken by undergraduate and graduate students in physical chemistry. In this book, different concepts of time-dependent quantum mechanics are systematically presented by first giving emphasis on the contrasting viewpoint of classical and quantum mechanical motion of a particle, then by demonstrating the ways to find classical flavour in quantum dynamics, thereafter by formally defining the wavepacket which represents a quantum particle and finally by demonstrating numerical methods to explore the wavepacket dynamics in one dimension. Along with the analytical theory, accompanying Python chapters in this book take readers to a hands-on tour with Python programming by first giving them a quick introduction to the Python programming, then by introducing the position-space grid representation of the wavefunction, thereafter, by making them familiarized with the Fourier transform to represent the discretized wavefunction in momentum space, subsequently by showing the Python-based methodologies to express Hamiltonian operator in matrix form and finally by demonstrating the entire Python program which solves the wavepacket dynamics in one dimension under influence of time-independent Hamiltonian following split-operator approach.Rigorous class-testing of the presented lecture notes at the Indian Institute of Science, GITAM University and at NPTEL platform reveals that physical chemistry students, after thoroughly going through all chapters, not only develop an in-depth understanding of the wavepacket dynamics and its numerical implementations, but also start successfully writing their own Python code for solving any one dimensional wavepacket dynamics problem.

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Elliot R. Bernstein – författare

Intra- and Intermolecular Interactions between Non-covalently Bonded Species

Chemical Reactions in Clusters

Introduction To Time-dependent Quantum Mechanics With Python

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