Concepedia
Journal of Molecular Structure · 2010 · 27 citations · 23 references
Natural SciencesChemistryComputational ChemistryCrystal StructureOrganic ChemistryBiomolecular StructureCrystal ChemistryMolecular ModelingMolecular StructureStructure DeterminationStructure PredictionMolecular Structure DeterminationStructure-property Relationship Analysis
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Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
Philip J. Stephens, F. J. Devlin, Cary F. Chabalowski et al. · The Journal of Physical Chemistry · 1994 · 23.1K citations
Natural Sciences, Chemistry, Physics +16
<i>ORTEP</i>-3 for Windows - a version of<i>ORTEP</i>-III with a Graphical User Interface (GUI)
Louis J. Farrugia · Journal of Applied Crystallography · 1997 · 19.9K citations
Natural Sciences, Computer Science, Computational Chemistry +16
<i>WinGX</i>suite for small-molecule single-crystal crystallography
Louis J. Farrugia · Journal of Applied Crystallography · 1999 · 18.9K citations
Natural Sciences, Chemistry, Computational Chemistry +11
Tables of bond lengths determined by X-ray and neutron diffraction. Part 1. Bond lengths in organic compounds
Frank H. Allen, Olga Kennard, Lee Brammer et al. · Journal of the Chemical Society Perkin Transactions 2 · 1987 · 8K citations
Natural Sciences, Chemistry, Crystal Structure +16
Optimization of parameters for semiempirical methods I. Method
James J. P. Stewart · Journal of Computational Chemistry · 1989 · 7.6K citations
Natural Sciences, Materials Science, Computational Mechanics +4