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Janet E. Del Bene
Janet E. Del Bene
Verified email at ysu.edu
Title
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Cited by
Year
Use of the CNDO method in spectroscopy. I. Benzene, pyridine, and the diazines
JD Bene, HH Jaffe
The Journal of Chemical Physics 48 (4), 1807-1813, 1968
1836*1968
Extensive theoretical studies of the hydrogen‐bonded complexes (H2O)2, (H2O)2H+, (HF)2, (HF)2H+, F2H, and (NH3)2
MJ Frisch, JE Del Bene, JS Binkley, HF Schaefer III
The Journal of Chemical Physics 84 (4), 2279-2289, 1986
8131986
Theory of Molecular Interactions. I. Molecular Orbital Studies of Water Polymers Using a Minimal Slater‐Type Basis
J Del Bene, JA Pople
The Journal of Chemical Physics 52 (9), 4858-4866, 1970
4981970
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 …
JE Del Bene, WB Person, K Szczepaniak
The Journal of Physical Chemistry 99 (27), 10705-10707, 1995
3861995
Use of the CNDO method in spectroscopy. III. Monosubstituted benzenes and pyridines
J Del Bene, HH Jaffe
The Journal of Chemical Physics 49 (3), 1221-1229, 1968
3481968
The hydrogen bond
AD Buckingham, JE Del Bene, SAC McDowell
Chemical Physics Letters 463 (1-3), 1-10, 2008
2862008
Molecular orbital study of the dimers (AHn) 2 formed from ammonia, water, hydrogen fluoride, phosphine, hydrogen sulfide, and hydrogen chloride
MJ Frisch, JA Pople, JE Del Bene
The Journal of Physical Chemistry 89 (17), 3664-3669, 1985
2531985
Encyclopedia of computational chemistry
P von Ragué Schleyer, PR Schreiner, HF Schaefer III, WL Jorgensen, ...
2411998
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
JE Del Bene
The Journal of Physical Chemistry 97 (1), 107-110, 1993
1991993
Ab initio computation of the enthalpies of some gas-phase hydration reactions
JE Del Bene, HD Mettee, MJ Frisch, BT Luke, JA Pople
The Journal of Physical Chemistry 87 (17), 3279-3282, 1983
1991983
Use of the CNDO Method in Spectroscopy. IV. Small Molecules: Spectra and Ground‐State Properties
J Del Bene, HH Jaffe
The Journal of Chemical Physics 50 (3), 1126-1129, 1969
1981969
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 …
JE Del Bene
The Journal of Physical Chemistry 92 (10), 2874-2880, 1988
1901988
Structures, Energies, Bonding, and NMR Properties of Pnicogen Complexes H2XP:NXH2 (X  H, CH3, NH2, OH, F, Cl)
JE Del Bene, I Alkorta, G Sanchez-Sanz, J Elguero
The Journal of Physical Chemistry A 115 (46), 13724-13731, 2011
1622011
Theoretical Study of Open Chain Dimers and Trimers Containing CH3OH and H2O
JED Bene
The Journal of Chemical Physics 55 (9), 4633-4636, 1971
1601971
Self‐Consistent Molecular Orbital Methods. X. Molecular Orbital Studies of Excited States with Minimal and Extended Basis Sets
JED Bene, R Ditchfield, JA Pople
The Journal of Chemical Physics 55 (5), 2236-2241, 1971
1591971
Theory of molecular interactions. III. A comparison of studies of H2O polymers using different molecular‐orbital basis sets
JE Del Bene, JA Pople
The Journal of Chemical Physics 58 (9), 3605-3608, 1973
1441973
Intermolecular energies of small water polymers
J Del Bene, JA Pople
Chemical Physics Letters 4 (7), 426-428, 1969
1421969
Molecular orbital study of the protonation of DNA bases
JE Del Bene
The Journal of Physical Chemistry 87 (2), 367-371, 1983
1381983
Coupled-cluster calculations of the excitation energies of benzene and the azabenzenes
JE Del Bene, JD Watts, RJ Bartlett
The Journal of chemical physics 106 (14), 6051-6060, 1997
1341997
Pnicogen Bonded Complexes of PO2X (X = F, Cl) with Nitrogen Bases
I Alkorta, J Elguero, JE Del Bene
The Journal of Physical Chemistry A 117 (40), 10497-10503, 2013
1322013
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