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Results: 1-11 |
Results: 11
Can proton-shared or ion-pair N-H-N hydrogen bonds be produced in uncharged complexes? A systematic ab initio study of the structures and selected NMR and IR properties of complexes with N-H-N hydrogen bonds
Authors: Toh, JSS Jordan, MJT Husowitz, BC Del Bene, JE
Citation: Jss. Toh et al., Can proton-shared or ion-pair N-H-N hydrogen bonds be produced in uncharged complexes? A systematic ab initio study of the structures and selected NMR and IR properties of complexes with N-H-N hydrogen bonds, J PHYS CH A, 105(48), 2001, pp. 10906-10914
Vibrational effects on the F-F spin-spin coupling constant ((2h)J(F-F)) inFHF- and FDF-
Authors: Del Bene, JE Jordan, MJT Perera, SA Bartlett, RJ
Citation: Je. Del Bene et al., Vibrational effects on the F-F spin-spin coupling constant ((2h)J(F-F)) inFHF- and FDF-, J PHYS CH A, 105(37), 2001, pp. 8399-8402
Relating environmental effects and structures, IR, and NMR properties of hydrogen-bonded complexes: ClH : pyridine
Authors: Chapman, K Crittenden, D Bevitt, J Jordan, MJT Del Bene, JE
Citation: K. Chapman et al., Relating environmental effects and structures, IR, and NMR properties of hydrogen-bonded complexes: ClH : pyridine, J PHYS CH A, 105(22), 2001, pp. 5442-5449
An ab initio study of anharmonicity and field effects in hydrogen-bonded complexes of the deuterated analogues of HCl and HBr with NH3 and N(CH3)(3)
Authors: Bevitt, J Chapman, K Crittenden, D Jordan, MJT Del Bene, JE
Citation: J. Bevitt et al., An ab initio study of anharmonicity and field effects in hydrogen-bonded complexes of the deuterated analogues of HCl and HBr with NH3 and N(CH3)(3), J PHYS CH A, 105(13), 2001, pp. 3371-3378
What a difference a decade makes: progress in ab initio studies of the hydrogen bond
Authors: Del Bene, JE Jordan, MJT
Citation: Je. Del Bene et Mjt. Jordan, What a difference a decade makes: progress in ab initio studies of the hydrogen bond, J MOL ST-TH, 573, 2001, pp. 11-23
Vibrational averaging of NMR properties for an N-H-N hydrogen bond
Authors: Jordan, MJT Toh, JSS Del Bene, JE
Citation: Mjt. Jordan et al., Vibrational averaging of NMR properties for an N-H-N hydrogen bond, CHEM P LETT, 346(3-4), 2001, pp. 288-292
Ab initio potential energy surface for the reactions between H2O and H
Authors: Bettens, RPA Collins, MA Jordan, MJT Zhang, DH
Citation: Rpa. Bettens et al., Ab initio potential energy surface for the reactions between H2O and H, J CHEM PHYS, 112(23), 2000, pp. 10162-10172
Unraveling environmental effects on hydrogen-bonded complexes: Matrix effects on the structures and proton-stretching frequencies of hydrogen-halide complexes with ammonia and trimethylamine
Authors: Jordan, MJT Del Bene, JE
Citation: Mjt. Jordan et Je. Del Bene, Unraveling environmental effects on hydrogen-bonded complexes: Matrix effects on the structures and proton-stretching frequencies of hydrogen-halide complexes with ammonia and trimethylamine, J AM CHEM S, 122(9), 2000, pp. 2101-2115
Vibrational spectroscopic and NMR properties of hydrogen-bonded complexes:Do they tell us the same thing?
Authors: Del Bene, JE Jordan, MJT
Citation: Je. Del Bene et Mjt. Jordan, Vibrational spectroscopic and NMR properties of hydrogen-bonded complexes:Do they tell us the same thing?, J AM CHEM S, 122(19), 2000, pp. 4794-4797
A comparative study of vibrational anharmonicity in the bihalide anions XHX-, X = F, Cl, Br
Authors: Del Bene, JE Jordan, MJT
Citation: Je. Del Bene et Mjt. Jordan, A comparative study of vibrational anharmonicity in the bihalide anions XHX-, X = F, Cl, Br, SPECT ACT A, 55(3), 1999, pp. 719-729
Vibrational spectroscopy of the hydrogen bond: an ab initio quantum-chemical perspective
Authors: Del Bene, JE Jordan, MJT
Citation: Je. Del Bene et Mjt. Jordan, Vibrational spectroscopy of the hydrogen bond: an ab initio quantum-chemical perspective, INT R PH CH, 18(1), 1999, pp. 119-162
Risultati: 1-11 |