Janet E. Del Bene

Research.com Recognitions

• 1985 - Fellow of the American Association for the Advancement of Science (AAAS)

Overview

Best Publications

• Use of the CNDO Method in Spectroscopy. I. Benzene, Pyridine, and the Diazines

  Janet Del Bene;H. H. Jaffé

  1480
  Citations

• Extensive theoretical studies of the hydrogen‐bonded complexes (H2O)2, (H2O)2H+, (HF)2, (HF)2H+, F2H−, and (NH3)2

  Michael J. Frisch;Janet E. Del Bene;J. Stephen Binkley;Henry F. Schaefer

  854
  Citations

• Use of the CNDO Method in Spectroscopy. II. Five‐Membered Rings

  Janet Del Bene;Hans H. Jaffé

  600
  Citations

• Properties of Hydrogen-Bonded Complexes Obtained from the B3LYP Functional with 6-31G(d,p) and 6-31+G(d,p) Basis Sets: Comparison with MP2/6-31+G(d,p) Results and Experimental Data

  Janet E. Del Bene;Willis B. Person;Krystyna Szczepaniak

  568
  Citations

• Theory of Molecular Interactions. I. Molecular Orbital Studies of Water Polymers Using a Minimal Slater‐Type Basis

  Janet E. Del Bene;J. A. Pople

  514
  Citations

• The hydrogen bond

  A.D. Buckingham;J.E. Del Bene;S.A.C. McDowell

  409
  Citations

• Use of the CNDO Method in Spectroscopy. III. Monosubstituted Benzenes and Pyridines

  Janet Del Bene;H. H. Jaffé

  355
  Citations

• Molecular orbital study of the dimers (AHn)2 formed from ammonia, water, hydrogen fluoride, phosphine, hydrogen sulfide, and hydrogen chloride

  Michael J. Frisch;John A. Pople;Janet E. Del Bene

  258
  Citations

• Structures, energies, bonding, and NMR properties of pnicogen complexes H2XP:NXH2 (X ═ H, CH3, NH2, OH, F, Cl).

  Janet E. Del Bene;Ibon Alkorta;Goar Sanchez-Sanz;José Elguero

  249
  Citations

• Ab initio molecular orbital study of the structures and energies of neutral and charged bimolecular complexes of water with the hydrides AHn (A = nitrogen, oxygen, fluorine, phosphorus, sulfur, and chlorine)

  Janet E. Del Bene

  214
  Citations

• Ab initio computation of the enthalpies of some gas-phase hydration reactions

  Janet E. Del Bene;Howard D. Mettee;Michael J. Frisch;Brian T. Luke

  212
  Citations

• Proton affinities of ammonia, water, and hydrogen fluoride and their anions: a quest for the basis-set limit using the Dunning augmented correlation-consistent basis sets

  Janet E. Del Bene

  207
  Citations

• Use of the CNDO Method in Spectroscopy. IV. Small Molecules: Spectra and Ground‐State Properties

  Janet Del Bene;H. H. Jaffé

  202
  Citations

• Self‐Consistent Molecular Orbital Methods. X. Molecular Orbital Studies of Excited States with Minimal and Extended Basis Sets

  Janet E. Del Bene;R. Ditchfield;J. A. Pople

  179
  Citations

• Does the A·T or G·C base-pair possess enhanced stability? Quantifying the effects of CH⋯O interactions and secondary interactions on base-pair stability using a phenomenological analysis and ab initio calculations

  Jordan R. Quinn;Steven C. Zimmerman;Janet E. Del Bene;Isaiah Shavitt

  174
  Citations

• Theoretical Study of Open Chain Dimers and Trimers Containing CH3OH and H2O

  Janet E. Del Bene

  164
  Citations

• Molecular orbital study of the protonation of DNA bases

  Janet E. Del Bene

  162
  Citations

• Theory of molecular interactions. III. A comparison of studies of H2O polymers using different molecular‐orbital basis sets

  Janet E. Del Bene;J. A. Pople

  155
  Citations

• Intermolecular energies of small water polymers

  Janet Del Bene;J.A. Pople

  150
  Citations

• Coupled-cluster calculations of the excitation energies of benzene and the azabenzenes

  Janet E. Del Bene;John D. Watts;Rodney J. Bartlett

  141
  Citations