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Molecular quantum similarity of enantiomers of amino acids : a case study
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Molecular quantum similarity : theory and applications
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Geometric and electronic similarities between transition structures for electrocyclizations and sigmatropic hydrogen shifts
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The electronegativity equalization method and its application in computational medicinal chemistry
(2005) ADVANCES IN COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2005, VOLS 4 A & 4 B. 4A-4B. p.1178-1182 -
Generalized Population Analysis and molecular quantum similarity for molecular aromaticity
(2005) ADVANCES IN COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2005, VOLS 4 A & 4 B. 4A-4B. p.1236-1239 -
A selected ion flow tube study of the reactions of H3O+, NO+ and O-2(center dot+) with some oxygenated biogenic volatile organic compounds
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Molecular quantum similarity of enantiomers of amino acids
(2005) p.P88-P88 -
Quantum chemical applications in a distributed computing environment
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A MOLECULAR QUANTUM SIMILARITY APPROACH TO AROMATICITY
(2005) -
High-speed calculation of AIM charges through the electronegativity equalization method