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Combined Quantum Mechanical and Molecular Mechanical Methods, Copyright, Advisory Board, Foreword by Gao, Jiali (editor);Thompson, Mark A. (editor) is a nonfiction available to read on EtoBox.

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Content: Quantum mechanical-molecular mechanical coupled potentials / Kenneth M. Merz, Jr. -- Quantum mechanical-molecular mechanical approaches for studying chemical reactions in proteins and solution / Jörg Bentzien, Jan Florián, Timothy M. Glennon, and Arieh Warshel -- The geometry of water in liquid water from hybrid ab initio-Monte Carlo and density functional-molecular dynamics simulations / Cristobal Alhambra, Kyoungrim Byun, and Jiali Gao -- On the treatment of link atoms in hybrid methods / Iris Antes and Walter Thiel -- A method of hybrid quantum-classical calculations for large organometallic-metallobiochemical systems : applications to iron picket-fence porphyrin and vitamin B12 / Isaac B. Bersuker, Max K. Leong, James E. Boggs, and Robert S. Pearlman -- A methodology for quantum molecular modeling of structure and reactivity at solid-liquid interfaces / Eugene V. Stefanovich and Thanh N. Truong -- Dual-level methods for electronic structure calculations of potential energy functions that use quantum mechanics as the lower level / José C. Corchado and Donald G. Truhlar -- A combined Car-Parrinello quantum mechanical-molecular mechanical implementation for ab initio mole

Who reads Combined Quantum Mechanical and Molecular Mechanical Methods, Copyright, Advisory Board, Foreword?

Author

Gao, Jiali (editor);Thompson, Mark A. (editor)

Publisher

An American Chemical Society Publication

Published

1998

Language

EN

ISBN

9780841216952

Category

nonfiction

Subjects

Engineering, Science, Chemistry