Janet E. Del Bene
Janet E. Del Bene
Verified email at ysu.edu
Title
Cited by
Cited by
Year
Use of the CNDO method in spectroscopy. I. Benzene, pyridine, and the diazines
J Del Bene, HH Jaffe
Journal of Chemical Physics 48 (4), 1807-1813, 1968
14491968
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
8101986
Use of the CNDO method in spectroscopy. II. Five‐membered rings
JD Bene, HH Jaffé
The Journal of Chemical Physics 48 (9), 4050-4055, 1968
784*1968
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
4991970
Encyclopedia of computational chemistry
P von Ragué Schleyer, PR Schreiner, HF Schaefer III, WL Jorgensen, ...
4141998
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
3881995
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
3461968
The hydrogen bond
AD Buckingham, JE Del Bene, SAC McDowell
Chemical Physics Letters 463 (1-3), 1-10, 2008
2742008
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
2481985
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
2041983
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
1961988
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
1941993
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
1612011
Theoretical Study of Open Chain Dimers and Trimers Containing CH3OH and H2O
JED Bene
The Journal of Chemical Physics 55 (9), 4633-4636, 1971
1561971
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
1511971
Molecular orbital study of the protonation of DNA bases
JE Del Bene
The Journal of Physical Chemistry 87 (2), 367-371, 1983
1501983
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
1451973
Intermolecular energies of small water polymers
J Del Bene, JA Pople
Chemical Physics Letters 4 (7), 426-428, 1969
1371969
Molecular orbital study of the complexes AHn2H+ formed from NH3, OH2, FH, PH3, SH2, and ClH
JE Del Bene, MJ Frisch, JA Pople
Journal of physical chemistry (1952) 89 (17), 3669-3674, 1985
1341985
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Articles 1–20