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Computational Chemistry
Computational chemistry is a branch of chemistry that uses the results of theoretical chemistry incorporated into efficient computer programs to calculate the structures and properties of molecules and solids.
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41. Case, Fiona
Molecular modeling of surfactants and polymers with an industrial focus.
http://www.casescientific.com
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Rating: [0.00] Votes: [0] Hits: [189] | May 7, 2006

42. Baer, Roi
Electronic structure of large systems; quantum molecular dynamics simulations.
http://www.fh.huji.ac.il/~roib/
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Rating: [0.00] Votes: [0] Hits: [183] | May 7, 2006

43. MatHub
Features current and background information about molecular modeling and informatics for chemistry and materials science.
http://www.mathub.com/
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Rating: [0.00] Votes: [0] Hits: [183] | May 7, 2006

44. Journal of Molecular Graphics and Modelling
Publishes original research on the development and application of molecular modelling in the study of molecular structure, function, interactions and design, including computational chemistry, protein and polymer engineering, pharmaceutical design, structural biology and materials design.
http://www.sciencedirect.com/science/journal/10933263
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Rating: [0.00] Votes: [0] Hits: [182] | May 7, 2006

45. Case, David A.
Computer modeling of the structure and dynamics of proteins and nucleic acids. (Scripps Research Institute).
http://www.scripps.edu/mb/case/
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Rating: [0.00] Votes: [0] Hits: [181] | May 7, 2006

46. Intertek ASG Computational Chemistry Group
Services provided by the group include the calculation of molecular properties using computational chemistry, the management, analysis, visualisation and modelling of data, training, consultancy and problem solving.
http://www.intertek-cb.com/newsitetest/services/asg/compchem.shtml
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Rating: [0.00] Votes: [0] Hits: [179] | May 7, 2006

47. Fibroblast Growth Factors and Their Receptors: A Kinemage Collection
This site uses kinemages to highlight the structural features of FGF ligands and receptors. Java-enabled browsers can manipulate the structures in real time using the KiNG application.
http://www-personal.umich.edu/%7elpt/fgf/fgf.htm
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Rating: [0.00] Votes: [0] Hits: [177] | May 7, 2006

48. Journal of Computational Chemistry
Publishes original articles on ab initio and semiempirical quantum mechanics, density functional theory, molecular mechanics, molecular dynamics, statistical mechanics, cheminformatics, biomolecular structure prediction, molecular design, and bioinformatics.
http://www3.interscience.wiley.com/cgi-bin/jhome/33822
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Rating: [0.00] Votes: [0] Hits: [177] | May 7, 2006

49. Center for Superfunctional Materials
Design of novel functional molecular and nano systems based on principles of quantum chemistry (Pohang University of Science and Technology, Korea).
http://csm.postech.ac.kr
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Rating: [0.00] Votes: [0] Hits: [176] | May 7, 2006

50. Truhlar, Donald G.
Potential energy surfaces for chemical reaction dynamics; transition state theory with an emphasis on isotope effects and tunneling corrections.
http://comp.chem.umn.edu/truhlar/
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Rating: [0.00] Votes: [0] Hits: [176] | May 7, 2006

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