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Results: 26-42/42
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
Authors:
Huang, DJ
Koren, PR
Folting, K
Davidson, ER
Caulton, KG
Citation: Dj. Huang et al., Facile and reversible cleavage of C-F bonds. Contrasting thermodynamic selectivity for Ru-CF2H vs F--Os=CFH, J AM CHEM S, 122(37), 2000, pp. 8916-8931
Authors:
Staroverov, VN
Davidson, ER
Citation: Vn. Staroverov et Er. Davidson, Transition regions in the cope rearrangement of 1,5-hexadiene and its cyano derivatives, J AM CHEM S, 122(30), 2000, pp. 7377-7385
Authors:
Staroverov, VN
Davidson, ER
Citation: Vn. Staroverov et Er. Davidson, Diradical character of the cope rearrangement transition state, J AM CHEM S, 122(1), 2000, pp. 186-187
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
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
Authors:
Rolke, J
Zheng, Y
Brion, CE
Shi, Z
Wolfe, S
Davidson, ER
Citation: J. Rolke et al., Orbital imaging and assessment of different orbital models for the valenceshell of methanol - Comparison of electron momentum spectroscopy measurements with near-Hartree-Fock limit, MRSD-CI, localized valence bond and density functional theory, CHEM PHYS, 244(1), 1999, pp. 1-24
Authors:
Bawagan, ADO
Davidson, ER
Citation: Ado. Bawagan et Er. Davidson, Understanding electron correlation: Recent progress in molecular synchrotron photoelectron spectroscopy, ADV CH PHYS, 110, 1999, pp. 215-266
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
Authors:
Knight, LB
Bell, BA
Cobranchi, DP
Davidson, ER
Citation: Lb. Knight et al., Electron spin resonance and theoretical studies of the N-14 center dot center dot center dot center dot N-14 and N-15 center dot center dot center dot center dot N-15 spin-pair radicals in neon matrices: The effects of mixing among the (1)Sigma(+)(g), (3)Sigma(+)(u), (5)Sigma(+)(g), and (7)Sigma(+)(u) electronic states, J CHEM PHYS, 111(7), 1999, pp. 3145-3154
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
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
Scaled quantum mechanical study of vibrational force field for p-difluorobenzene and p-fluorotoluene
Authors:
Jarzecki, AA
Davidson, ER
Ju, Q
Parmenter, CS
Citation: Aa. Jarzecki et al., Scaled quantum mechanical study of vibrational force field for p-difluorobenzene and p-fluorotoluene, INT J QUANT, 72(4), 1999, pp. 249-260
Authors:
Jarecki, AA
Davidson, ER
Citation: Aa. Jarecki et Er. Davidson, Density functional theory calculations for F-, CHEM P LETT, 300(1-2), 1999, pp. 44-52
Authors:
Jarzecki, AA
Gajewski, J
Davidson, ER
Citation: Aa. Jarzecki et al., Thermal rearrangements of norcaradiene, J AM CHEM S, 121(29), 1999, pp. 6928-6935
Authors:
Davidson, ER
Morokuma, K
Nguyen, MT
Allen, WD
Clary, DC
Handy, NC
Schatz, GC
Light, JC
Bowman, JM
Zhang, JZH
Manthe, U
Connor, JNL
Jakubetz, W
Manolopoulos, DE
Kuppermann, A
Taylor, PR
Anderson, JB
Aoiz, FJ
Castillo, JF
Lagana, A
de Aspuru, O
Tully, JC
Lemoine, D
Dobbyn, A
Mahapatra, S
Miller, WH
Poirier, B
Stoecklin, T
Hutson, J
Truhlar, DG
Nyman, GBL
Huarte-Larranaga, F
Gimenez, X
Althorpe, SC
Balint-Kurti, GG
Kouri, DJ
Kroes, GJ
Riganelli, A
Goldfield, E
Knowles, PJ
Trindle, C
Schaefer, HF
Citation: Er. Davidson et al., General discussion, FARADAY DIS, (110), 1998, pp. 207-252
Authors:
Child, MS
Darling, GR
Kroes, GJ
Truhlar, DG
Light, JC
McCormack, DA
Tozer, DJ
Clary, DC
Bird, DM
Zhang, JZH
Holloway, S
Taylor, PR
Persson, M
Jackson, BE
Anderson, JB
Bowman, JM
Thompson, DL
Hynes, JT
Basilevsky, MV
Chandler, D
Sprik, M
Morokuma, K
Bolhuis, PG
Al-Halabi, AS
Hammer, B
Davidson, ER
Tully, JC
Martinez, TJ
Hillier, IH
Meier, RJ
Schulten, KJ
Kuppermann, A
Citation: Ms. Child et al., General discussion, FARADAY DIS, (110), 1998, pp. 347-378