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Results: 1-25/45
Authors:
Daire, SE
Lozeille, J
Gamblin, SD
Wright, TG
Lee, EPF
Citation: Se. Daire et al., The (A)over-tilde (2)Sigma(+) <- (X)over-tilde (2)Pi transition of the NO center dot CH4 and NO center dot CD4 complexes, PHYS CHEM P, 3(6), 2001, pp. 917-924
Authors:
Lee, EPF
Lozeille, J
Soldan, P
Daire, SE
Dyke, JM
Wright, TG
Citation: Epf. Lee et al., An ab initio study of RbO, CsO and FrO (X (2)Sigma(+); A (2)Pi) and their cations (X (3)Sigma(-); A (3)Pi), PHYS CHEM P, 3(22), 2001, pp. 4863-4869
Authors:
Soldan, P
Lee, EPF
Wright, TG
Citation: P. Soldan et al., Static dipole polarizabilities (alpha) and static second hyperpolarizabilities (gamma) of the rare gas atoms (He-Rn), PHYS CHEM P, 3(21), 2001, pp. 4661-4666
Authors:
Lee, EPF
Dyke, JM
Mok, DKW
Claridge, RP
Chau, FT
Citation: Epf. Lee et al., Ab initio calculations on the (1)(2)Delta excited state and low-lying quartet states of Ga center dot N-2: Simulation of its LIF spectrum, J PHYS CH A, 105(41), 2001, pp. 9533-9542
Authors:
Lee, EPF
Soldan, P
Wright, TG
Citation: Epf. Lee et al., Structure and binding energies of monohydrated Cd and Cd2+, J PHYS CH A, 105(37), 2001, pp. 8510-8515
Authors:
Hammam, E
Lee, EPF
Dyke, JM
Citation: E. Hammam et al., Ab initio molecular orbital calculations on NO+(H2O)(n) cluster ions. 2. Thermodynamic values for stepwise hydration and nitrous acid formation, J PHYS CH A, 105(23), 2001, pp. 5528-5534
Authors:
Mok, DKW
Lee, EPF
Chau, FT
Dyke, JM
Citation: Dkw. Mok et al., Ab initio calculations on the (A)over-tilde(1)Pi and (X)over-tilde(1)Sigma(+) states of AlNC and simulation of the AlNC (A)over-tilde (1)Pi-(X)over-tilde(1)Sigma(+) emission spectra, J COMPUT CH, 22(16), 2001, pp. 1896-1906
Authors:
Chau, FT
Dyke, JM
Lee, EPF
Mok, DKW
Citation: Ft. Chau et al., Simulation of (A)over-tilde(1)B(1)->(X)over-tilde(1)A(1) CF2 single vibronic level emissions: Including anharmonic and Duschinsky effects, J CHEM PHYS, 115(13), 2001, pp. 5816-5822
Authors:
Wang, DC
Chau, FT
Mok, DKW
Lee, EPF
Beeching, L
Ogden, JS
Dyke, JM
Citation: Dc. Wang et al., The (X)over-tilde B-2(1), B-2(2), (2)A(1), and (2)A(2) states of oxygen difluoride cation (F2O+): High-level ab initio calculations and simulation ofthe ultraviolet photoelectron spectrum of F2O, J CHEM PHYS, 114(24), 2001, pp. 10682-10694
Authors:
Alexander, MH
Soldan, P
Wright, TG
Kim, YS
Meyer, H
Dagdigian, PJ
Lee, EPF
Citation: Mh. Alexander et al., The NO(X-2 Pi)-Ne complex. II. Investigation of the lower bound states based on new potential energy surfaces, J CHEM PHYS, 114(13), 2001, pp. 5588-5597
Authors:
Lee, EPF
Soldan, P
Wright, TG
Citation: Epf. Lee et al., The heaviest group 2 difluoride, RaF2: Geometry and ionization energy, INORG CHEM, 40(23), 2001, pp. 5979-5984
Authors:
Lee, EPF
Wright, TG
Citation: Epf. Lee et Tg. Wright, Preliminary ab initio study of the quartet states of the complex formed between NO(X-2 Pi) and O-2(X-3 Sigma(-)(g)), CHEM P LETT, 347(4-6), 2001, pp. 429-435
Authors:
Lee, EPF
Soldan, P
Wright, TG
Citation: Epf. Lee et al., High-level ab initio study of LiO (X-2 Pi; A(2)Sigma(+)) and LiO+ (X-3 Sigma(-) ; A(3)Pi): the ionization energy of LiO, CHEM P LETT, 347(4-6), 2001, pp. 481-486
Authors:
Daire, SE
Lozeille, J
Gamblin, SD
Lee, EPF
Wright, TG
Citation: Se. Daire et al., (1+1) REMPI spectroscopy and high-level ab initio study of the complex formed between NO and CO, CHEM P LETT, 346(3-4), 2001, pp. 305-312
Authors:
Soldan, P
Lee, EPF
Lozeille, J
Murrell, JN
Wright, TG
Citation: P. Soldan et al., High-quality interatomic potential for Li+ center dot He, CHEM P LETT, 343(3-4), 2001, pp. 429-436
Authors:
Lee, EPF
Mok, DKW
Dyke, JM
Chau, FT
Citation: Epf. Lee et al., Ab initio calculations and spectral simulation of the (A)over-tilde(2)A '-> (X)over-tilde(2)A '' emission of the HPCl radical, CHEM P LETT, 340(3-4), 2001, pp. 348-355
Authors:
Wright, TG
Lee, EPF
Citation: Tg. Wright et Epf. Lee, The structure and stability of the complex formed between NO+ and CO, CHEM P LETT, 340(1-2), 2001, pp. 179-185
Authors:
Lee, EPF
Lozeille, J
Soldan, P
Wright, TG
Citation: Epf. Lee et al., Calculations on the unstable CO-(X-2 Pi) anion, CHEM P LETT, 336(5-6), 2001, pp. 479-487
Authors:
Lee, EPF
Dyke, JM
Citation: Epf. Lee et Jm. Dyke, An ab initio study of the low-lying doublet states of linear and T-shaped Ga center dot N-2, J PHYS CH A, 104(50), 2000, pp. 11810-11815
Authors:
Lee, EPF
Wright, TG
Citation: Epf. Lee et Tg. Wright, Geometry, vibrational frequencies, and ionization energies of BeX2 (X = F,Cl, Br, and I), J PHYS CH A, 104(5), 2000, pp. 974-981
Authors:
Wang, DC
Lee, EPF
Chau, F
Mok, DKW
Dyke, JM
Citation: Dc. Wang et al., The (X)over-tilde(2)B(1), (A)over-tilde(2)B(2), (B)over-tilde(2)A(1), and (C)over-tilde(2)A(2) states of Cl2O+: ab initio calculations and simulations of the HeI photoelectron spectrum, J PHYS CH A, 104(21), 2000, pp. 4936-4942
Authors:
Hammam, E
Lee, EPF
Dyke, JM
Citation: E. Hammam et al., Ab initio molecular orbital calculations on NO+ center dot (H20)(n) cluster ions. Part I: Minimum-energy structures and possible routes to nitrous acid formation, J PHYS CH A, 104(19), 2000, pp. 4571-4580
Authors:
Soldan, P
Lee, EPF
Gamblin, SD
Wright, TG
Citation: P. Soldan et al., Na2O and Na2O+: Thermodynamics and low-lying electronic states, J PHYS CH A, 104(15), 2000, pp. 3317-3325
Authors:
Chau, FT
Lee, EPF
Mok, DKW
Wang, DC
Dyke, JM
Citation: Ft. Chau et al., Simulation of photoelectron and electronic spectra of small molecules, J ELEC SPEC, 108(1-3), 2000, pp. 75-88
Authors:
Lozeille, J
Daire, SE
Gamblin, SD
Wright, TG
Lee, EPF
Citation: J. Lozeille et al., The (A)over-tilde <-(X)over-tilde(1+1)REMPI spectrum and high-level ab initio calculations of the complex between NO and N-2, J CHEM PHYS, 113(24), 2000, pp. 10952-10961