Concepedia
Journal of Molecular Structure · 2007 · 25 citations · 35 references
PharmacyMedicinal ChemistrySynthetic Medicinal ChemistryElectron Transfer ReactionsBenzimidazole ChemistryBenzimidazole SynthesisExcited-state Proton TransferProton Transfer MechanismsProton Transfer Reactions
35
Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model
Michael J. S. Dewar, Eve G. Zoebisch, Eamonn F. Healy et al. · Journal of the American Chemical Society · 1985 · 13.1K citations
Natural Sciences, Chemistry, Physics +10
<i>SIR</i>97: a new tool for crystal structure determination and refinement
Angela Altomare, M. C. Burla, Mercedes Camalli et al. · Journal of Applied Crystallography · 1999 · 9.1K citations
Natural Sciences, Chemistry, Computational Chemistry +13
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
Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements
James J. P. Stewart · Journal of Molecular Modeling · 2007 · 3.7K citations · Full text
Natural Sciences, Chemistry, Computational Chemistry +9
Excited-state proton transfer reactions II. Intramolecular reactions
Sebastião J. Formosinho, Luı́s G. Arnaut · Journal of Photochemistry and Photobiology A Chemistry · 1993 · 708 citations
Natural Sciences, Chemistry, Chemical Kinetics +11