Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis CM Breneman, KB Wiberg Journal of Computational Chemistry 11 (3), 361-373, 1990 | 5332 | 1990 |
Application of the pople-santry-segal CNDO method to the cyclopropylcarbinyl and cyclobutyl cation and to bicyclobutane KB Wiberg Tetrahedron 24 (3), 1083-1096, 1968 | 4708 | 1968 |
Solvent effects. 5. Influence of cavity shape, truncation of electrostatics, and electron correlation on ab initio reaction field calculations JB Foresman, TA Keith, KB Wiberg, J Snoonian, MJ Frisch The Journal of Physical Chemistry 100 (40), 16098-16104, 1996 | 1468 | 1996 |
Solvent effects. 1. The mediation of electrostatic effects by solvents MW Wong, MJ Frisch, KB Wiberg Journal of the American Chemical Society 113 (13), 4776-4782, 1991 | 1257 | 1991 |
The deuterium isotope effect KB Wiberg Chemical reviews 55 (4), 713-743, 1955 | 1087 | 1955 |
The concept of strain in organic chemistry KB Wiberg Angewandte Chemie International Edition in English 25 (4), 312-322, 1986 | 874 | 1986 |
Oxidation in organic chemistry KB Wiberg, WS Trahanovsky | 843 | 1965 |
Comparison of atomic charges derived via different procedures KB Wiberg, PR Rablen Journal of Computational Chemistry 14 (12), 1504-1518, 1993 | 803 | 1993 |
Physical organic chemistry KB Wiberg (No Title), 1964 | 770 | 1964 |
Solvent effects. 3. Tautomeric equilibria of formamide and 2-pyridone in the gas phase and solution: an ab initio SCRF study MW Wong, KB Wiberg, MJ Frisch Journal of the American Chemical Society 114 (5), 1645-1652, 1992 | 672 | 1992 |
Barriers to rotation adjacent to double bonds. 3. The carbon-oxygen barrier in formic acid, methyl formate, acetic acid, and methyl acetate. The origin of ester and amide resonance KB Wiberg, KE Laidig Journal of the American Chemical Society 109 (20), 5935-5943, 1987 | 659 | 1987 |
Hartree–Fock second derivatives and electric field properties in a solvent reaction field: Theory and application MW Wong, KB Wiberg, M Frisch The Journal of chemical physics 95 (12), 8991-8998, 1991 | 481 | 1991 |
Solvent effects. 2. Medium effect on the structure, energy, charge density, and vibrational frequencies of sulfamic acid MW Wong, KB Wiberg, MJ Frisch Journal of the American Chemical society 114 (2), 523-529, 1992 | 467 | 1992 |
Theoretical analysis of hydrocarbon properties. 1. Bonds, structures, charge concentrations, and charge relaxations KB Wiberg, RFW Bader, CDH Lau Journal of the American Chemical Society 109 (4), 985-1001, 1987 | 403 | 1987 |
[1.1. 1] Propellane KB Wiberg, FH Walker Journal of the American Chemical Society 104 (19), 5239-5240, 1982 | 402 | 1982 |
Amides. 3. Experimental and theoretical studies of the effect of the medium on the rotational barriers for N, N-dimethylformamide and N, N-dimethylacetamide KB Wiberg, PR Rablen, DJ Rush, TA Keith Journal of the American Chemical Society 117 (15), 4261-4270, 1995 | 392 | 1995 |
A Scheme for Strain Energy Minimization. Application to the Cycloalkanes1 KB Wiberg Journal of the American Chemical Society 87 (5), 1070-1078, 1965 | 381 | 1965 |
A comparison of model chemistries JW Ochterski, GA Petersson, KB Wiberg Journal of the American Chemical Society 117 (45), 11299-11308, 1995 | 368 | 1995 |
Theoretical analysis of hydrocarbon properties. 2. Additivity of group properties and the origin of strain energy KB Wiberg, RFW Bader, CDH Lau Journal of the American Chemical Society 109 (4), 1001-1012, 1987 | 344 | 1987 |
Bicyclo [1.1. 0] butane KB Wiberg, GM Lampman, RP Ciula, DS Connor, P Schertler, J Lavanish Tetrahedron 21 (10), 2749-2769, 1965 | 334 | 1965 |