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Kenneth B. Wiberg

Kenneth B. Wiberg

D-Index & Metrics

Chemistry

D-Index
100
Citations
48107
World Ranking
1251
National Ranking
483

Research.com Recognitions

  • 1958 - Fellow of Alfred P. Sloan Foundation

Overview

Kenneth B. Wiberg is affiliated with Yale University in the United States. Their research spans multiple fields with a primary focus on materials science and chemistry. Within these domains, their work engages deeply with materials chemistry, pharmacology, organic chemistry, physical and theoretical chemistry, and atomic and molecular physics, and optics.

Their research interests are further reflected in the main topics they have explored, which include:

  • Crystallization and Solubility Studies
  • X-ray Diffraction in Crystallography
  • Advanced Chemical Physics Studies
  • Phytochemistry and Bioactivity Studies
  • Chemical synthesis and alkaloids
  • Alkaloids: synthesis and pharmacology
  • Crystallography and molecular interactions

Kenneth B. Wiberg's frequently published venues highlight consistent contributions to the scientific literature, especially:

  • The Cambridge Structural Database
  • The Journal of Organic Chemistry
  • Angewandte Chemie International Edition
  • Angewandte Chemie
  • ACS Omega

Some of the recent papers authored or co-authored by Kenneth B. Wiberg include:

  • Total Synthesis of (±)-Phyllantidine: Development and Mechanistic Evaluation of a Ring Expansion for Installation of Embedded Nitrogen-Oxygen Bonds, 2020, Angewandte Chemie International Edition
  • Increase in Strain Energy during Conversion of [4.4.4.5]Fenestrane to [4.4.4.4]Fenestrane: a Method for Estimating the Heats of Formation of Hydrocarbons and Their Derivatives from Ab Initio Energies, 2020, The Journal of Organic Chemistry
  • Re-Examination of Some Carbocations. Structures, Energies, and Charge Distributions, 2020, The Journal of Organic Chemistry
  • Halogen-Halogen Nonbonded Interactions, 2021, ACS Omega

Kenneth B. Wiberg's frequent collaborators include:

  • Kyle M. Lambert
  • Joshua B. Cox
  • Amy C. Jackson
  • Sam Yruegas
  • John L. Wood

They were recognized as a Fellow of the Alfred P. Sloan Foundation in 1958, indicating early acknowledgment of their contributions in the scientific community.

Best Publications

  • Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis

    C. M. Breneman;K. B. Wiberg

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

    K.B. Wiberg

  • Solvent Effects. 5. Influence of Cavity Shape, Truncation of Electrostatics, and Electron Correlation on ab Initio Reaction Field Calculations

    James B. Foresman;Todd A. Keith;Kenneth B. Wiberg;John Snoonian

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

    Ming Wah Wong;Michael J. Frisch;Kenneth B. Wiberg

  • The Deuterium Isotope Effect

    Kenneth B. Wiberg

  • The Concept of Strain in Organic Chemistry

    K. B. Wiberg

  • Comparison of atomic charges derived via different procedures

    Kenneth B. Wiberg;Paul R. Rablen

  • Physical organic chemistry

    Kenneth B. Wiberg

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

    Ming Wah Wong;Kenneth B. Wiberg;Michael J. Frisch

  • 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

  • Hartree–Fock second derivatives and electric field properties in a solvent reaction field: Theory and application

    Ming Wah Wong;Kenneth B. Wiberg;Michael Frisch

  • Solvent effects. 2. Medium effect on the structure, energy, charge density, and vibrational frequencies of sulfamic acid

    Ming Wah Wong;Kenneth B. Wiberg;Michael J. Frisch

  • [1.1.1]Propellane

    Kenneth B. Wiberg;Frederick H. Walker

  • 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;Paul R. Rablen;Daniel J. Rush;Todd A. Keith

  • Theoretical analysis of hydrocarbon properties. 1. Bonds, structures, charge concentrations, and charge relaxations

    Kenneth B. Wiberg;Richard F. W. Bader;Clement D. H. Lau

  • A Comparison of Model Chemistries

    Joseph W. Ochterski;George A. Petersson;Kenneth B. Wiberg

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

    Kenneth B. Wiberg

  • A Scheme for Strain Energy Minimization. Application to the Cycloalkanes1

    Kenneth B. Wiberg

  • Theoretical analysis of hydrocarbon properties. 2. Additivity of group properties and the origin of strain energy

    Kenneth B. Wiberg;Richard F. W. Bader;Clement D. H. Lau

  • A time-dependent density functional theory study of the electronically excited states of formaldehyde, acetaldehyde and acetone

    Kenneth B. Wiberg;R.Eric Stratmann;Michael J. Frisch

  • Resonance interactions in acyclic systems. 3. Formamide internal rotation revisited. Charge and energy redistribution along the C-N bond rotational pathway

    Kenneth B. Wiberg;Curt M. Breneman

Frequent Co-Authors

Michael J. Frisch
Michael J. Frisch Gaussian Inc.
Christopher M. Hadad
Christopher M. Hadad The Ohio State University
Steven D. Colson
Steven D. Colson Yale University
Martin Saunders
Martin Saunders Yale University
Ming Wah Wong
Ming Wah Wong National University of Singapore
G. Barney Ellison
G. Barney Ellison University of Colorado Boulder
Kurt W. Zilm
Kurt W. Zilm Yale University
Paul v. R. Schleyer
Paul v. R. Schleyer University of Georgia
Josef Michl
Josef Michl University of Colorado Boulder
Richard F. W. Bader
Richard F. W. Bader McMaster University

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