John M. McKelvey

Theoretical studies of hydrogen-bonded dimers. Complexes involving HF, H2O, NH3, CH1, H2S, PH3, HCN, HNC, HCP, CH2NH, H2CS, H2CO, CH4, CF3,H, C2H2, C2H4, C6H6, F- and H3O+

Peter A. Kollman, John M. McKelvey, Allan Johansson et al. · Journal of the American Chemical Society · 1975 · 369 citations

Natural Sciences, Chemistry, Computational Chemistry +11

Ab initio SCF-MO calculations of methyllithium and related systems. Absence of covalent character in the carbon-lithium bonds

Andrew Streitwieser, J. E. Williams, Spiro D. Alexandratos et al. · Journal of the American Chemical Society · 1976 · 138 citations

Natural Sciences, Chemistry, Computational Chemistry +7

Tellurapyrylium dyes. 2. The electron-donating properties of the chalcogen atoms to the chalcogenapyrylium nuclei and their radical dications, neutral radicals, and anions

Michael R. Detty, John M. McKelvey, Henry R. Luss · Organometallics · 1988 · 59 citations

Natural Sciences, Chemistry, Inorganic Chemistry +9

12-Te-5 pertelluranes from 1,2-oxatellurolyl-1-ium halides. Synthesis, structure, and reactivity. The quest for delocalization in 10-Te-3 telluranes and 12-Te-5 pertelluranes of thiathiophthene structure

Michael R. Detty, Henry R. Luss, John M. McKelvey et al. · The Journal of Organic Chemistry · 1986 · 43 citations

Natural Sciences, Chemistry, Crystal Structure +8

Correlation of STO-3G calculated substituent effects on the proton affinity of benzene with .sigma.+ parameters

John M. McKelvey, Spiro D. Alexandratos, Andrew Streitwieser et al. · Journal of the American Chemical Society · 1976 · 38 citations

Natural Sciences, Chemistry, Computational Chemistry +12