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Journal of computational chemistry, ISSN 0192-8651, 1980
Journal
Computational biology and chemistry, ISSN 1476-9271, 2003
Journal
2007, ISBN 9780471713425, xviii, 478
Steven M. Bachrach, PhD, is the Dr. D. R. Semmes Distinguished Professor of Chemistry at Trinity University in San Antonio, Texas.?Dr... 
Mathematics | Mathematical models | Chemistry, Organic
Book
Journal of theoretical & computational chemistry, ISSN 0219-6336, 2002
Journal
2006, 1st ed., Wiley Series in Theoretical Chemistry, ISBN 9780470863329, 382
The subject of this book -- intermolecular interactions -- is as important in physics as in chemistry and molecular biology... 
Intermolecular forces | Molecular dynamics | Chemistry | SCIENCE | Physical & Theoretical
eBook
Theoretical and computational chemistry, ISSN 1380-7323, 1994
Journal
2006, Methods and principles in medicinal chemistry, ISBN 3527310878, Volume 27, xviii, 307
This unique reference source, edited by the world's most respected expert on molecular interaction field software, covers all relevant principles of the GRID force field and its applications in medicinal chemistry... 
Computer simulation | Chemical reactions | Biomolecules | Drug development | Physiological effect | Forecasting | Pharmaceutical chemistry | Chemicals | Structure-activity relationships (Biochemistry)
Book
2006, 1. Aufl., ISBN 352729662X, xiii, 474
... century, and covering all major catalytic systems. The authors develop a general conceptual framework, including in-depth comparisons with enzyme catalysis, biomineralisation, organometallic and coordination chemistry... 
Heterogeneous catalysis | Chemistry
Book
2012, ISBN 9781118008713, xiii, 594
Computational spectroscopy is a rapidly evolving field that is becoming a versatile and widespread tool for the assignment of experimental spectra and their interpretation as related to chemical physical effects... 
Data processing | Spectrum analysis | Chemistry | SCIENCE | Physical & Theoretical
Book
2013, RSC theoretical and computational chemistry series, ISBN 1849736081, Volume no. 5., xiii, 278
Computational Quantum Chemistry presents computational electronic structure theory as practiced in terms of ab initio waveform methods and density functional... 
Chromatographic analysis | Quantum chemistry | Molecular structure | Computer simulation | Science | General | Chemistry | Molecular structure - Computer simulation
Book
2018, 1, ISBN 1771885688, Volume 1, xx, 369 pages
Computational Chemistry Methodology in Structural Biology and Materials Sciences provides a selection of new research in theoretical and experimental chemistry, focusing on topics in the materials... 
Amino Acid Sequence | Electronic data processing | Methodology | methods | Computational Biology | Models, Molecular | Materials science | Data processing | Biology | Proteins | Chemistry | Protein Conformation | Mathematical models | Chemistry, Physical and theoretical | Structure | Materials Chemistry | Biotechnology | Physical Chemistry | Molecular biology
Book
2009, Eic books, ISBN 0470699973, xv, 594
.interscience.wiley.com/EIC/"--Provided by publisher. "Over the past several decades there have been major advances in our ability to evaluate computationally... 
Chemistry, Inorganic | Data processing | Quantum biochemistry | Quantum chemistry | Bioinorganic chemistry
Book
2005, ISBN 9783527314102, vi, 294
Richard Dronskowski studied chemistry and physics at Münster University and gained his PhD from the Max Planck Institute for Solid State Research in Stuttgart... 
Solid state chemistry | Mathematical models | Materials
Book
2004, 2nd ed., ISBN 0470091827, [xxi], 596
Book
2015, Series in computational physics, ISBN 9781466561571, xxvi, 453
...: From Quantum to Coarse-Grained Methods presents modern biomolecular computational techniques that address protein flexibility/dynamics at all levels of theory... 
Proteins | chemistry | Biophysical Phenomena | methods | Intrinsically Disordered Proteins | Computational Biology | Protein Conformation | Molecular Dynamics Simulation | Conformation | Computational and Theoretical Chemistry | Computational Physics | Biophysics | Protein engineering
Book
Theoretical chemistry accounts, ISSN 1432-2234, 1997
Journal
2009, 2. Aufl., Reviews in Computational Chemistry, ISBN 9780470388396, Volume 26, xxxvi, 532
Computational chemistry is increasingly used in conjunction with organic, inorganic, medicinal, biological, physical, and analytical chemistry, biotechnology, materials science, and chemical physics... 
Data processing | Chemistry | Mathematics
Book
2009, ISBN 9783527320325, xviii, 455
This practical guide describes the basic computational methodologies for catalysis and materials science at an introductory level, presenting the methods with relevant applications... 
Materials science | Catalysis
Book
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