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Computational chemistry
Known as:
Compchem
, Computer Aided Chemistry
, History of computational chemistry
Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical…
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Amidicity
Artificial chemistry
Basis set (chemistry)
BindingDB
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Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
Highly Cited
2011
Highly Cited
2011
Recent advances in 1,4-benzoquinone chemistry
Ignatious Abraham
,
R. Joshi
,
P. Pardasani
,
R. Pardasani
2011
Corpus ID: 98355677
As 1,4-benzoquinonas sao encontradas em toda a natureza, podendo ser sintetizadas por diversas estrategias. Esta revisao…
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Highly Cited
2008
Highly Cited
2008
GPU acceleration of cutoff pair potentials for molecular modeling applications
Christopher I. Rodrigues
,
David J. Hardy
,
J. Stone
,
K. Schulten
,
Wen-mei W. Hwu
ACM International Conference on Computing…
2008
Corpus ID: 7237892
The advent of systems biology requires the simulation of ever-larger biomolecular systems, demanding a commensurate growth in…
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Highly Cited
2008
Highly Cited
2008
Computational Science - ICCS 2008, 8th International Conference, Kraków, Poland, June 23-25, 2008, Proceedings, Part I
Marco Aldinucci
International Conference on Conceptual Structures
2008
Corpus ID: 33380355
Highly Cited
2007
Highly Cited
2007
Energy Levels and Observed Spectral Lines of Krypton, Kr I through Kr XXXVI
E. B. Saloman
2007
Corpus ID: 98765381
The energy levels and observed spectral lines of the krypton atom, in all stages of ionization for which experimental data are…
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Highly Cited
2005
Highly Cited
2005
Nature-Inspired Methods in Chemometrics: Genetic Algorithms and Artificial Neural Networks
2005
Corpus ID: 60543422
This book, part of Elsevier’s “Data Handling in Science and Technology” series, consists of two main parts and halves, one…
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Highly Cited
2004
Highly Cited
2004
Energy Levels and Observed Spectral Lines of Xenon, Xe I through Xe LIV
E. B. Saloman
2004
Corpus ID: 96906901
The energy levels and observed spectral lines of the xenon atom, in all stages of ionization for which experimental data are…
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Highly Cited
2004
Highly Cited
2004
Genetic algorithms combined with discriminant analysis for key variable identification
Leo H. Chiang
,
R. Pell
2004
Corpus ID: 62584998
Review
1990
Review
1990
Crystallographic and Modeling Methods in Molecular Design
C. Bugg
,
S. Ealick
Springer: New York
1990
Corpus ID: 1220932
This up-to-date review of forefront approaches used in structure-based drug design and protein engineering is intended for…
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Highly Cited
1980
Highly Cited
1980
Molecular dynamics of cis-trans isomerization in rhodopsin
R. Birge
,
L. M. Hubbard
1980
Corpus ID: 85464387
The photochemical properties of the chromophore in the visual pigment rhodopsin are analyzed using INDO-CISD molecular orbital…
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Highly Cited
1946
Highly Cited
1946
Characterization of Organic Compounds
S. McElvain
1946
Corpus ID: 97807016
This text provides a thorough modern training in the essential principles of physical chemistry, their effective use, :and their…
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