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Janet E. Del Bene
Janet E. Del Bene
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Use of the CNDO method in spectroscopy. I. Benzene, pyridine, and the diazines
J Del Bene, HH Jaffe
J. chem. Phys 48 (4), 1807-13, 1968
14261968
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
The Journal of chemical physics 84 (4), 2279-2289, 1986
8361986
Encyclopedia of computational chemistry
PR Schleyer
(No Title), 1998
5951998
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
5161970
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
4031995
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
3571968
The hydrogen bond
AD Buckingham, JE Del Bene, SAC McDowell
Chemical Physics Letters 463 (1-3), 1-10, 2008
3552008
Use of the CNDO method in spectroscopy. I. Benzene, pyridine, and the diazines
JD Bene, HH Jaffé
The Journal of Chemical Physics 48 (4), 1807-1813, 1968
255*1968
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
2471985
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
2091993
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
2031988
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
2001969
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
1871983
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
1862011
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
1761971
Theoretical study of open chain dimers and trimers containing CH3OH and H2O
JED Bene
The Journal of Chemical Physics 55 (9), 4633-4636, 1971
1651971
Molecular orbital study of the protonation of DNA bases
JE Del Bene
The Journal of Physical Chemistry 87 (2), 367-371, 1983
1601983
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
1601973
Intermolecular energies of small water polymers
J Del Bene, JA Pople
Chemical Physics Letters 4 (7), 426-428, 1969
1521969
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
1412013
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