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Grinter, Roger - The Quantum in Chemistry: An Experimentalist's View, ebook

The Quantum in Chemistry: An Experimentalist's View

Grinter, Roger


This book explores the way in which quantum theory has become central to our understanding of the behaviour of atoms and molecules. It looks at the way in which this underlies so many of the experimental measurements we make, how we interpret those experiments and the language which we use

Hameka, Hendrik F. - Quantum Mechanics: A Conceptual Approach, ebook

Quantum Mechanics: A Conceptual Approach

Hameka, Hendrik F.


A unique introductory text on quantum mechanics, from basic principles to historical perspective.
* Includes description of the historical developments that led to the discovery of QM, often left out of other textbooks.
* Emphasizes basic concepts that were essential in this

Onishi, Taku - Quantum Computational Chemistry, ebook

Quantum Computational Chemistry

Onishi, Taku


Table of contents
Part I. Theoretical Background of Quantum Chemistry
1. Quantum Theory
Taku Onishi
2. Atomic Orbital
Taku Onishi
3. Hartree-Fock Method
Taku Onishi
4. Basis Function
Taku Onishi
5. Orbital Analysis
Taku Onishi
6. Electron Correlation
Taku Onishi
Part II.

Alber, Frank - Quantum Medicinal Chemistry, ebook

Quantum Medicinal Chemistry

Alber, Frank


Increasingly faster and more exact simulation algorithms have made quantum chemistry a valuable tool in the search for active substances.
Written by a team of leading international quantum

Nishikawa, Kiyoshi - Quantum Systems in Chemistry and Physics, ebook

Quantum Systems in Chemistry and Physics

Nishikawa, Kiyoshi


Validation of Quantum Chemical Calculations for Sulfonamide Geometrical Parameters
Akifumi Oda, Yu Takano, Ohgi Takahashi
18. Approximate Spin Projection for Geometry Optimization of Biradical Systems: Case Studies of Through-Space and Through-Bond Systems