квантовая химия

Материал, изложенный в книге, будет полезен при подготовке специалистов в различных областях ядерной отрасли. Глава I посвящена рассмотрению понятий «…

While its results normally complement the information obtained by chemical experiments, computer computations can in some cases predict unobserved che…

This advanced text introduces to the advanced undergraduate and graduate student the mathematical foundations of the methods needed to carry out pract…

В этой революционной работе доктор Феррат Ионыч предлагает читателю погрузиться в мир, где квантовая физика переплетается с философией, этикой и техно…

The Advances in Chemical Physics series presents the cutting edge in every area of the discipline and provides the field with a forum for critical, au…

Computational spectroscopy is a rapidly evolving field that is becoming a versatile and widespread tool for the assignment of experimental spectra and…

With more than 40% new and revised materials, this second edition offers researchers and students in the field a comprehensive understanding of fundam…

This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Volume 27 covers brittle fracture, mol…

Covers the most advanced computational and experimental methods for studying carbon-centered radical intermediates With its focus on the chemistry of …

Physical Inorganic Chemistry contains the fundamentals of physical inorganic chemistry, including information on reaction types, and treatments of rea…

As functional elements in opto-electronic devices approach the singlemolecule limit, conducting organic molecular wires are the appropriate interconne…

Written in a clear and understandable manner, this book provides a comprehensive, yet non-mathematical, treatment of the topic, covering the basic pri…

The Advances in Chemical Physics series—the cutting edge of research in chemical physics The Advances in Chemical Physics series provides the chemical…

Thanks to the progress made in instruments and techniques, the methods in physical chemistry have developed rapidly over the past few decades, making …

The first book to cover conceptual quantum chemistry, Atomic Charges, Bond Properties, and Molecular Energies deftly explores chemical bonds, their in…

The cutting edge of research in chemical physics Each volume of the Advances in Chemical Physics series discusses aspects of the state of diverse subj…

This book gives an extensive description of the state-of-the-art in research on excited-state hydrogen bonding and hydrogen transfer in recent years. …

Mathematical Methods for Physical and Analytical Chemistry presents mathematical and statistical methods to students of chemistry at the intermediate,…

A guide to analyzing the structures and properties of organic molecules Until recently, the study of organic molecules has traveled down two disparate…

Unique in its comprehensive coverage of not only theoretical methods but also applications in computational spectroscopy, this ready reference and han…

Stable radicals – molecules with odd electrons which are sufficiently long lived to be studied or isolated using conventional techniques – have enjoye…

Thanks to the progress made in instruments and techniques, the methods in physical chemistry have developed rapidly over the past few decades, making …

A readable little book assisting the student in understanding, in a nonmathematical way, the essentials of the different bonds occurring in chemistry.…

Demonstrates how anyone in math, science, and engineering can master DFT calculations Density functional theory (DFT) is one of the most frequently us…

This book gives an extensive description of the state-of-the-art in research on excited-state hydrogen bonding and hydrogen transfer in recent years. …

The Advances in Chemical Physics series presents the cutting edge in every area of the discipline and provides the field with a forum for critical, au…

As functional elements in opto-electronic devices approach the singlemolecule limit, conducting organic molecular wires are the appropriate interconne…

Unique in its comprehensive coverage of not only theoretical methods but also applications in computational spectroscopy, this ready reference and han…