Annual Reports in Computational Chemistry: Annual Reports in Computational Chemistry, cartea 8
Editat de Ralph A. Wheeleren Limba Engleză Paperback – 30 sep 2012
- Annual Reports in Computational Chemistryprovides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines
- Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists
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Specificații
ISBN-13: 9780444594402
ISBN-10: 044459440X
Pagini: 208
Dimensiuni: 152 x 229 x 11 mm
Greutate: 0.28 kg
Ediția:New.
Editura: ELSEVIER SCIENCE
Seria Annual Reports in Computational Chemistry
ISBN-10: 044459440X
Pagini: 208
Dimensiuni: 152 x 229 x 11 mm
Greutate: 0.28 kg
Ediția:New.
Editura: ELSEVIER SCIENCE
Seria Annual Reports in Computational Chemistry
Public țintă
Researchers and students interested in computational chemistryCuprins
Section
A:
Quantum
Chemistry
(Section
Editor:
Gregory
S.
Tschumper)
- A
Practical
Guide
to
Reliable
First
Principles
Computational
Thermochemistry
Predictions
Across
the
Periodic
TableDavid
A.
Dixon,
David
Feller
and
Kirk
A.
Peterson
- Ab
InitioComposite
Approaches:
Potential
Energy
Surfaces
and
Excited
Electronic
StatesWanyi
Jiang
and
Angela
K.
Wilson
- On
The
Orthogonality
of
Orbitals
in
Subsystem
Kohn-Sham
Density
Functional
TheoryYuriy
G.
Khait
and
Mark
R.
Hoffmann
Section B: Biological Modeling (Section Editor: Nathan Baker) - Structural
Models
and
Molecular
Thermodynamics
of
Hydration
of
Ions
and
Small
MoleculesDavid
M.
Rogers,
Dian
Jiao,
Lawrence
R.
Pratt
and
Susan
B.
Rempe
- A
Review
of
Physics-Based
Coarse-Grained
Potentials
for
the
Simulations
of
Protein
Structure
and
DynamicsHujun
Shen,
Zhen
Xia,
Guohui
Li
and
Pengyu
Ren
Section C: Bioinformatics (Section Editor: Wei Wang) - Poisson-Boltzmann Implicit Solvation ModelsQin Cai, Jun Wang, Meng-Juei Hsieh, Xiang Ye and Ray Luo