Kenneth B. Wiberg

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Comparison of density functional theory models' ability to reproduce experimental 13C-NMR shielding values

Kenneth B. Wiberg, 1999, J. Comput. Chem..

Comparison of different ab initio theoretical models for calculating isodesmic reaction energies for small ring and related compounds

Kenneth B. Wiberg, Joseph W. Ochterski, 1997, J. Comput. Chem..

Basis set effects on calculated geometries: 6‐311++G** vs. aug‐cc‐pVDZ

Kenneth B. Wiberg, K. B. Wiberg, 2004, J. Comput. Chem..

Conformational energies for 2‐substituted butanes

Kenneth B. Wiberg, Yi-Gui Wang, 2004, J. Comput. Chem..

Intramolecular interactions in molecular mechanics calculations

Kenneth B. Wiberg, K. B. Wiberg, 1977, Comput. Chem..

Ab initio calculation of molar volumes: Comparison with experiment and use in solvation models

Kenneth B. Wiberg, Michael J. Frisch, Ming Wah Wong, 1995, J. Comput. Chem..

Comparison of atomic charges derived via different procedures

Kenneth B. Wiberg, Paul R. Rablen, P. Rablen, 1993, J. Comput. Chem..

Calorimetric data collection using computers

Kenneth B. Wiberg, 1976, Comput. Chem..

Solvent effects: 6. A comparison between gas phase and solution acidities

Kenneth B. Wiberg, Todd A. Keith, Henry Castejon, 1996, J. Comput. Chem..

Amides. 3. Experimental and Theoretical Studies of the Effect of the Medium on the Rotational Barriers for N,N-Dimethylformamide and N,N-Dimethylacetamide

Kenneth B. Wiberg, Todd A. Keith, Paul R. Rablen, 1995 .

Group equivalents for converting ab initio energies to enthalpies of formation

Kenneth B. Wiberg, K. B. Wiberg, 1984 .

A Scheme for Strain Energy Minimization. Application to the Cycloalkanes1

Kenneth B. Wiberg, K. B. Wiberg, 1965 .

Infrared intensities : cyclobutene. A normal-coordinate analysis and comparison with cyclopropene

Kenneth B. Wiberg, Robert E. Rosenberg, 1992 .

Solvent effects. 1. The mediation of electrostatic effects by solvents

Kenneth B. Wiberg, Michael J. Frisch, Ming Wah Wong, 1991 .

Solvent effects. 3. Tautomeric equilibria of formamide and 2-pyridone in the gas phase and solution: an ab initio SCRF study

Kenneth B. Wiberg, Michael J. Frisch, Ming Wah Wong, 1992 .

Substituent effects. 3. A comparison of ethyl, vinyl, isopropyl, and cyclopropyl derivatives

Kenneth B. Wiberg, Keith E. Laidig, 1992 .

Solvent Effects on Methyl Transfer Reactions. 1. The Menshutkin Reaction

Kenneth B. Wiberg, Henry J. Castejon, H. Castejon, 1999 .

PROPERTIES OF SOME CONDENSED AROMATIC SYSTEMS

Kenneth B. Wiberg, K. B. Wiberg, 1997 .

Application of strain energy minimization to the dynamics of conformational changes

Kenneth B. Wiberg, Richard H. Boyd, R. H. Boyd, 1972 .

Analysis of the effect of electron correlation on charge density distributions

Kenneth B. Wiberg, Christopher M. Hadad, Michael J. Frisch, 1992 .

Properties of atoms in molecules: Dipole moments and transferability of properties

Kenneth B. Wiberg, Carlo Gatti, R. Bader, 1987 .

Origin of the Gauche Effect in substituted ethanes and ethenes

Kenneth B. Wiberg, M. A. Murcko, Keith E. Laidig, 1990 .

A Comparison of the Electronic Transition Energies for Ethene, Isobutene, Formaldehyde, and Acetone Calculated Using RPA, TDDFT, and EOM-CCSD. Effect of Basis Sets

Kenneth B. Wiberg, Gary W. Trucks, K. Wiberg, 2002 .

Structure of acetamide : planar or nonplanar ?

Kenneth B. Wiberg, Ming Wah Wong, K. Wiberg, 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

Kenneth B. Wiberg, Keith E. Laidig, K. Laidig, 1987 .

Intermode coupling in small carbonyl compounds with methyl rotors

Kenneth B. Wiberg, Steven D. Colson, S. Colson, 1985 .

Application of the pople-santry-segal CNDO method to the cyclopropylcarbinyl and cyclobutyl cation and to bicyclobutane

Kenneth B. Wiberg, K. B. Wiberg, 1968 .

Substituent effects. 1. Methyl derivatives

Kenneth B. Wiberg, Curt M. Breneman, 1990 .

Electronic states of organic molecules. I. Potential functions for the deformation of methane

Kenneth B. Wiberg, John J. Wendoloski, G. Barney Ellison, 1976 .

Infrared intensities: bicyclo[1.1.1]pentane. A normal-coordinate analysis and comparison with [1.1.1]propellane

Kenneth B. Wiberg, Robert E. Rosenberg, Sherman T. Waddell, 1992 .

Reactions of [1.1.1]propellane

Kenneth B. Wiberg, S. T. Waddell, Sherman T. Waddell, 1990 .

Origin of the stability of carbon tetrafluoride: negative hyperconjugation reexamined

Kenneth B. Wiberg, Paul R. Rablen, P. Rablen, 1993 .

Origin of rotation and inversion barriers

Kenneth B. Wiberg, Keith E. Laidig, James R. Cheeseman, 1990 .

Substituent effects. 2. n-Butyl and tert-butyl derivatives

Kenneth B. Wiberg, 1991 .

Barriers to rotation adjacent to double bonds. 4. Effect of basis set on structures, and of electron correlation on relative energies

Mark A. Murcko, Kenneth B. Wiberg, M. Murcko, 1988 .

Comparison of density functional theory models' ability to reproduce experimental 13C‐NMR shielding values

Kenneth B. Wiberg, K. Wiberg, K. B. Wiberg, 1999, J. Comput. Chem..

Heats of formation of C4H6 hydrocarbons

Kenneth B. Wiberg, Richard A. Fenoglio, K. B. Wiberg, 1968 .

The interpretation of NMR spectra

Kenneth B. Wiberg, Bernard J. Nist, K. B. Wiberg, 1962 .

Charge redistribution in the molecular vibrations of acetylene, ethylene, ethane, methane, silane and the ammonium ion. Signs of the M-H bond moments

Kenneth B. Wiberg, John J. Wendoloski, J. Wendoloski, 1984 .

Rotational barriers. 2. Energies of alkane rotamers. An examination of gauche interactions

Mark A. Murcko, Kenneth B. Wiberg, M. Murcko, 1988 .