AAAAAA

   
Results: 1-25 | 26-31
Results: 1-25/31
An ab initio study of RbO, CsO and FrO (X (2)Sigma(+); A (2)Pi) and their cations (X (3)Sigma(-); A (3)Pi)
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
On the electronic structure of the UO2 molecule
Authors: Gagliardi, L Roos, BO Malmqvist, PA Dyke, JM
Citation: L. Gagliardi et al., On the electronic structure of the UO2 molecule, J PHYS CH A, 105(46), 2001, pp. 10602-10606
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
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
Ab initio molecular orbital calculations on NO+(H2O)(n) cluster ions. 2. Thermodynamic values for stepwise hydration and nitrous acid formation
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
A photoelectron spectroscopic study of the second ionisation of the CF(X-2Pi) radical
Authors: Dyke, JM Hooper, N Morris, A
Citation: Jm. Dyke et al., A photoelectron spectroscopic study of the second ionisation of the CF(X-2Pi) radical, J ELEC SPEC, 119(1), 2001, pp. 49-56
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
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
Simulation of (A)over-tilde(1)B(1)->(X)over-tilde(1)A(1) CF2 single vibronic level emissions: Including anharmonic and Duschinsky effects
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
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
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
Study of the electronic structure of the actinide tetrabromides ThBr4 and UBr4 using ultraviolet photoelectron spectroscopy and density functional calculations
Authors: Beeching, LJ Dyke, JM Morris, A Ogden, JS
Citation: Lj. Beeching et al., Study of the electronic structure of the actinide tetrabromides ThBr4 and UBr4 using ultraviolet photoelectron spectroscopy and density functional calculations, J CHEM PHYS, 114(22), 2001, pp. 9832-9839
Ab initio calculations and spectral simulation of the (A)over-tilde(2)A '-> (X)over-tilde(2)A '' emission of the HPCl radical
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
A density functional study of thorium tetrahalides
Authors: Gagliardi, L Skylaris, CK Willetts, A Dyke, JM Barone, V
Citation: L. Gagliardi et al., A density functional study of thorium tetrahalides, PHYS CHEM P, 2(14), 2000, pp. 3111-3114
An ab initio study of the low-lying doublet states of linear and T-shaped Ga center dot N-2
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
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
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
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
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
Photoelectron spectroscopy of reactive intermediates using synchrotron radiation
Authors: Barr, JD Beeching, L De Fanis, A Dyke, JM Gamblin, SD Hooper, N Morris, A Stranges, S West, JB Wright, AE Wright, TG
Citation: Jd. Barr et al., Photoelectron spectroscopy of reactive intermediates using synchrotron radiation, J ELEC SPEC, 108(1-3), 2000, pp. 47-61
Simulation of photoelectron and electronic spectra of small molecules
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
A new method of calculation of Franck-Condon factors which includes allowance for anharmonicity and the Duschinsky effect: Simulation of the HeI photoelectron spectrum of ClO2
Authors: Mok, DKW Lee, EPF Chau, FT Wang, DC Dyke, JM
Citation: Dkw. Mok et al., A new method of calculation of Franck-Condon factors which includes allowance for anharmonicity and the Duschinsky effect: Simulation of the HeI photoelectron spectrum of ClO2, J CHEM PHYS, 113(14), 2000, pp. 5791-5803
Angle resolved photoelectron spectroscopy of O-2(a(1)Delta(g)) with synchrotron radiation
Authors: Beeching, L De Fanis, A Dyke, JM Gamblin, SD Hooper, N Morris, A West, JB
Citation: L. Beeching et al., Angle resolved photoelectron spectroscopy of O-2(a(1)Delta(g)) with synchrotron radiation, J CHEM PHYS, 112(4), 2000, pp. 1707-1712
A study of the BrO and BrO2 radicals with vacuum ultraviolet photoelectronspectroscopy
Authors: Dyke, JM Gamblin, SD Hooper, N Lee, EPF Morris, A Mok, DKW Chau, FT
Citation: Jm. Dyke et al., A study of the BrO and BrO2 radicals with vacuum ultraviolet photoelectronspectroscopy, J CHEM PHYS, 112(14), 2000, pp. 6262-6274
The lowest singlet-triplet gap in CCl2, CBr2 and CI2
Authors: Lee, EPF Dyke, JM Wright, TG
Citation: Epf. Lee et al., The lowest singlet-triplet gap in CCl2, CBr2 and CI2, CHEM P LETT, 326(1-2), 2000, pp. 143-150
A study of the thermal decomposition of azidoacetone by photoelectron and matrix isolation spectroscopy
Authors: Dyke, JM Groves, AP Morris, A Ogden, JS Catarino, MI Dias, AA Oliveira, AMS Costa, ML Barros, MT Cabral, MH Moutinho, AMC
Citation: Jm. Dyke et al., A study of the thermal decomposition of azidoacetone by photoelectron and matrix isolation spectroscopy, J PHYS CH A, 103(41), 1999, pp. 8239-8245
(X)over-tilde(1)A(1), (a)over-tilde(3)B(1), and (A)over-tilde(1)B(1) states of SiCl2: Ab initio calculations and simulation of emission spectra
Authors: Chau, FT Wang, DC Lee, EPF Dyke, JM Mok, DKW
Citation: Ft. Chau et al., (X)over-tilde(1)A(1), (a)over-tilde(3)B(1), and (A)over-tilde(1)B(1) states of SiCl2: Ab initio calculations and simulation of emission spectra, J PHYS CH A, 103(25), 1999, pp. 4925-4932
Photoelectron spectroscopy of short-lived molecules using synchrotron radiation
Authors: West, JB Dyke, JM Morris, A Wright, TG Gamblin, SD
Citation: Jb. West et al., Photoelectron spectroscopy of short-lived molecules using synchrotron radiation, J PHYS B, 32(11), 1999, pp. 2763-2782
Safe handling of corrosive chemicals in a vacuum environment: A case study - photoelectron spectroscopy of reactive intermediates
Authors: Morris, A Dyke, JM
Citation: A. Morris et Jm. Dyke, Safe handling of corrosive chemicals in a vacuum environment: A case study - photoelectron spectroscopy of reactive intermediates, VACUUM, 53(1-2), 1999, pp. 339-345
Resonance enhanced multiphoton ionization spectroscopy of the NCl molecule: (1)Sigma Rydberg states studied by 2-photon elicitation from the a(1)Delta state
Authors: Boggis, SA Dyke, JM Tabrizchi, M Richter, R
Citation: Sa. Boggis et al., Resonance enhanced multiphoton ionization spectroscopy of the NCl molecule: (1)Sigma Rydberg states studied by 2-photon elicitation from the a(1)Delta state, MOLEC PHYS, 97(1-2), 1999, pp. 81-92
Risultati: 1-25 | 26-31