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Results: 1-10 |
Results: 10
Rotational dynamics of neutral red in dimethylsulfoxide: How important is the solute's charge in causing "additional friction?"
Authors: Dutt, GB Ghanty, TK Singh, MK
Citation: Gb. Dutt et al., Rotational dynamics of neutral red in dimethylsulfoxide: How important is the solute's charge in causing "additional friction?", J CHEM PHYS, 115(23), 2001, pp. 10845-10851
Ab initio calculations on XFnq (X = I, Xe, Cs, and Ba ; n=1, 2, 4, and 6 ;q =-1, 0, +1, and +2) molecules
Authors: Machado, FBC Ghanty, TK Chakravorty, S Davidson, ER
Citation: Fbc. Machado et al., Ab initio calculations on XFnq (X = I, Xe, Cs, and Ba ; n=1, 2, 4, and 6 ;q =-1, 0, +1, and +2) molecules, INT J QUANT, 81(3), 2001, pp. 238-245
Molecular hardness, polarizability and valency variation of formamide and thioformamide on internal rotation: A density functional study
Authors: Ghanty, TK Ghosh, SK
Citation: Tk. Ghanty et Sk. Ghosh, Molecular hardness, polarizability and valency variation of formamide and thioformamide on internal rotation: A density functional study, J PHYS CH A, 104(13), 2000, pp. 2975-2979
Theoretical investigation of electronic structure and ESR hyperfine parameters for the CuH+ molecule
Authors: Ghanty, TK Davidson, ER
Citation: Tk. Ghanty et Er. Davidson, Theoretical investigation of electronic structure and ESR hyperfine parameters for the CuH+ molecule, INT J QUANT, 77(1), 2000, pp. 291-300
Is the hydrogen bond in water dimer and ice covalent?
Authors: Ghanty, TK Staroverov, VN Koren, PR Davidson, ER
Citation: Tk. Ghanty et al., Is the hydrogen bond in water dimer and ice covalent?, J AM CHEM S, 122(6), 2000, pp. 1210-1214
Theoretical interpretation of the photoelectron spectra of Al3O2- and Al3O3-
Authors: Ghanty, TK Davidson, ER
Citation: Tk. Ghanty et Er. Davidson, Theoretical interpretation of the photoelectron spectra of Al3O2- and Al3O3-, J PHYS CH A, 103(45), 1999, pp. 8985-8993
Electronic structure and low-lying electronic states of Al3O and Al3O-: Photoelectron spectrum of Al3O-
Authors: Ghanty, TK Davidson, ER
Citation: Tk. Ghanty et Er. Davidson, Electronic structure and low-lying electronic states of Al3O and Al3O-: Photoelectron spectrum of Al3O-, J PHYS CH A, 103(15), 1999, pp. 2867-2872
Reassignment of the AlSi- photoelectron spectrum by ab initio configuration interaction calculations
Authors: Ghanty, TK Davidson, ER
Citation: Tk. Ghanty et Er. Davidson, Reassignment of the AlSi- photoelectron spectrum by ab initio configuration interaction calculations, MOLEC PHYS, 96(4), 1999, pp. 735-740
Orbital momentum profiles and binding energy spectra for the complete valence shell of propane
Authors: Zheng, Y Pang, WN Shang, RC Chen, XJ Brion, CE Ghanty, TK Davidson, ER
Citation: Y. Zheng et al., Orbital momentum profiles and binding energy spectra for the complete valence shell of propane, J CHEM PHYS, 111(21), 1999, pp. 9526-9535
Electron spin resonance studies of (ScO)-Sc-45-O-17, (YO)-Y-89-O-17, and (LaO)-La-139-O-17 in rare gas matrices: Comparison with ab initio electronicstructure and nuclear hyperfine calculations
Authors: Knight, LB Kaup, JG Petzoldt, B Ayyad, R Ghanty, TK Davidson, ER
Citation: Lb. Knight et al., Electron spin resonance studies of (ScO)-Sc-45-O-17, (YO)-Y-89-O-17, and (LaO)-La-139-O-17 in rare gas matrices: Comparison with ab initio electronicstructure and nuclear hyperfine calculations, J CHEM PHYS, 110(12), 1999, pp. 5658-5669
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