| 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 | 1427 | 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 | 836 | 1986 |
| Encyclopedia of computational chemistry PR Schleyer (No Title), 1998 | 596 | 1998 |
| 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 | 516 | 1970 |
| 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 | 407 | 1995 |
| The hydrogen bond AD Buckingham, JE Del Bene, SAC McDowell Chemical Physics Letters 463 (1-3), 1-10, 2008 | 363 | 2008 |
| 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 | 358 | 1968 |
| 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 | 248 | 1985 |
| 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 | 209 | 1993 |
| 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 | 203 | 1988 |
| 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 | 200 | 1969 |
| 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 | 187 | 1983 |
| 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 | 186 | 2011 |
| 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 | 178 | 1971 |
| Theoretical study of open chain dimers and trimers containing CH3OH and H2O JED Bene The Journal of Chemical Physics 55 (9), 4633-4636, 1971 | 166 | 1971 |
| Molecular orbital study of the protonation of DNA bases JE Del Bene The Journal of Physical Chemistry 87 (2), 367-371, 1983 | 160 | 1983 |
| 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 | 160 | 1973 |
| Intermolecular energies of small water polymers J Del Bene, JA Pople Chemical Physics Letters 4 (7), 426-428, 1969 | 152 | 1969 |
| 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 | 141 | 2013 |
Ibon Alkorta(ORCID:0000-0001-6876-...Instituto de Química Médica (CSIC)Adresse e-mail validée de iqm.csic.es