Download Chemical Reactivity Theory: A Density Functional View djvu

Pratim Kumar Chattaraj. Comprising the contributions of sixty-five eminent scientists from thirteen different countries, this book introduces various aspects of density functional theory (DFT) and their connections to chemical reactivity theory.

Pratim Kumar Chattaraj.

In the 1970s, Density Functional Theory (DFT) was borrowed from physics and adapted to chemistry by a handful of. .

In the 1970s, Density Functional Theory (DFT) was borrowed from physics and adapted to chemistry by a handful of visionaries.

Computational and Theoretical Chemistry. Chemical Reactivity Theory: A Density Functional View. Pratim Kumar Chattaraj. The book covers a gamut of related topics such as methods for determining atoms-in-molecules, population analysis, electrostatic potential, molecular quantum similarity, aromaticity, and biological activity.

Chemical reactivity theory: a density functional view. Chemical reactivity and selectivity: local HSAB principle versus frontier orbital theory. The Journal of Physical Chemistry A 105 (2), 511-513, 2001.

A Density Functional View. In the 1970s, Density Functional Theory (DFT) was borrowed from physics and adapted to chemistry by a handful of visionaries. With 34 chapters written by 65 eminent scientists from 13 diffe.

Details for: Chemical reactivity theory a density functional view . Electron distribution Chemical reaction, Conditions and laws ofGenre/Form: Electronic books.

Details for: Chemical reactivity theory a density functional view /. Normal view MARC view ISBD view. Chemical reactivity theory : a density functional view, Pratim Kumar Chattaraj. By: Chattaraj, Pratim Kumar. Material type: BookPublisher: Boca Raton : Taylor & Francis, 2009Description: xvii, 576 . p. of plates : ill. (some co. ISBN: 9781420065442 (ebook : PDF). Subject(s): Density functionals Electron distribution Chemical reaction, Conditions and laws ofGenre/Form: Electronic books

On the other hand density functional reactivity theory (DFRT) .

Density functional theory (DFT) has become one of the most effective tools in providing accurate ground state electronic structure of macrocyclic systems. On the other hand density functional reactivity theory (DFRT) which utilizes a number of reactivity descriptors in rationalizing the reactivity patterns of a molecular system has been consistently impressive in evaluating the reactivity parameters of a wide range of molecular systems  .

By: Pratim Kumar Chattaraj. Publisher: CRC Press. Print ISBN: 9781420065435, 1420065432.

Save up to 80% by choosing the eTextbook option for ISBN: 9781420065442, 1420065440. The print version of this textbook is ISBN: 9781420065435, 1420065432. By: Pratim Kumar Chattaraj.

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Normal View MARC View ISBD View. Chemical reactivity theory : a density functional view /. Authors: Chattaraj, Pratim Kumar. Electron distribution. Chemical reaction, Conditions and laws of. Year: 2009.