Last edited by Vuzahn
Friday, May 1, 2020 | History

6 edition of Essentials of Computational Chemistry found in the catalog.

Essentials of Computational Chemistry

Theories and Models

by Christopher J. Cramer

  • 288 Want to read
  • 39 Currently reading

Published by John Wiley & Sons .
Written in English

    Subjects:
  • Applied mathematics,
  • Laboratory techniques, experiments,
  • Science,
  • Science/Mathematics,
  • Chemistry - Physical & Theoretical,
  • Science / Chemistry / General,
  • Chemistry - General,
  • Chemistry, Physical and theore,
  • Chemistry, Physical and theoretical,
  • Data processing,
  • Mathematical models

  • The Physical Object
    FormatPaperback
    Number of Pages562
    ID Numbers
    Open LibraryOL9792832M
    ISBN 100471485527
    ISBN 109780471485520

    Essential Computational Modeling in Chemistry presents key contributions selected from the volume in the Handbook of Numerical Analysis: Computational Modeling in Chemistry Vol. 10(). Computational Modeling is an active field of scientific computing at the crossroads between Physics, Chemistry, Applied Mathematics and Computer Science. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context. Download Essentials of Computational Chemistry.

    Book Review: Essentials of Computational Chemistry Theories and Models. By Christopher J. Cramer. F. Matthias Bickelhaupt. Afdeling Theoretische Chemie Scheikundig Laboratorium der Vrije Universiteit Amsterdam, The Netherlands. Search for more papers by this author. F. Matthias : F. Matthias Bickelhaupt. Case studies and numerical comparisons of the performance of various basis sets, functionals, and methods can be found in Christopher Cramer's Essentials of Computational Chemistry: Theories and Models (Wiley, New York, 2nd edition, ). However, computational methods, especially KS-DFT, are evolving very rapidly and some parts of the book.

    CiteSeerX - Document Details (Isaac Councill, Lee Giles, Pradeep Teregowda): Several books have appeared in recent years that give an overview of different methods used in computational chemistry, rather than giving an in-depth treatment of a specific subfield of theoretical chemistry. Essentials of Computational Chemistry by Christopher Cramer is a recent addition to this trend, and provides. A suitable description of DFT with B3LYP and basis set G (D) is available in any computational chemistry text book [13] [14] [15][16][17]. Generally, the DFT results can be credited with a.


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Essentials of Computational Chemistry by Christopher J. Cramer Download PDF EPUB FB2

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Essentials of computational chemistry: theories and models / Christopher J. Cramer. – 2nd ed. Includes bibliographical references and index. ISBN (cloth:alk. paper) – ISBN (pbk.: alk. paper) 1. Chemistry, Physical and theoretical – Data processing.

Chemistry, Physical and theoretical – Mathematical File Size: 6MB. "Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics" is an invaluable tool for teaching and researchers alike.

The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different. Synopsis Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject.

Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas.

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Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in.

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Extensively revised and updated, the Second Edition has been carefully developed to encourage student understanding and to establish seamless connections with the primary literature for the advanced reader.4/5(34). "[This book] collects together, largely for the first time, a series of chapters dedicated to all the ways in which molecular modeling/computational chemistry can impact organic chemistry." —Christopher J.

Cramer, author of Essentials ofComputational Chemistry: Theories and Models. Essentials of Computational Chemistry Theories and Models pdf Essentials of Computational Chemistry Theories and Models pdf: Pages By Christopher J. Cramer Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject.

Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas.

Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of molecules and solids.

It is necessary because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation. Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessaryFile Size: KB.

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Cramer Department of Chemistry and Supercomputing Institute, University of Minnesota, USA published by John Wiley & Sons Ltd, England. Exploring Chemistry with Electronic Structre Methods by James B.

Foresman & Aeleen Frish is the book for Theoretical chemistry who uses Gaussian 03W Programm. Cite 2 Recommendations.Get this from a library! Essentials of computational chemistry: theories and models.

[Christopher J Cramer].Essentials of Computational Chemistry, Theories and Models, Second Edition provides an accessible introduction to this fast developing subject.

Extensively revised and updated, the Second Edition has been carefully developed to encourage student understanding and to establish seamless connections with the primary literature for the advanced.