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Computation in Chemistry


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Accurate Condensed-Phase Quantum Chemistry

Accurate Condensed-Phase Quantum Chemistry

1st Edition

Fred Manby
September 10, 2018

The theoretical methods of quantum chemistry have matured to the point that accurate predictions can be made and experiments can be understood for a wide range of important gas-phase phenomena. A large part of this success can be attributed to the maturation of hierarchies of approximation, which...

Theoretical and Quantum Chemistry at the Dawn of the 21st Century

Theoretical and Quantum Chemistry at the Dawn of the 21st Century

1st Edition

Tanmoy Chakraborty, Ramon Carbo-Dorca
July 05, 2018

This volume, edited by a well-known specialist in the field of theoretical chemistry, gathers together a selection of papers on theoretical chemistry within the themes of mathematical, computational, and quantum chemistry. The authors present a rich assembly of some of the most important current...

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