Volume 260; Issue 1-2

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Chemical Physics
Volume 260; Issue 1-2

Chemical Physics

Volume 260; Issue 1-2

1

Structure and ground and first electronic excited state vibrational modes of the ethyl-p-aminobenzoate conformers

Asier Longarte, José A Fernández, Iñigo Unamuno, Fernando Castaño

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 528 KB

english, 2000

2

On the validity of the equivalent cores approximation for computing X-ray photoemission and photoabsorption spectral bands

Oleksandr Plashkevych, Timofei Privalov, Hans Ågren, Vincenzo Carravetta, Kenneth Ruud

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 274 KB

english, 2000

3

Photoionization mass spectrometry of six isomers of C7H8 in the 7–22 eV photon energy range

Martin Schwell, François Dulieu, Christelle Gée, Hans-Werner Jochims, Jean-Louis Chotin, Helmut Baumgärtel, Sydney Leach

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 225 KB

english, 2000

4

The photoabsorption and constant ionic state spectroscopy of vinylbromide

A. Hoxha, R. Locht, B. Leyh, D. Dehareng, K. Hottmann, H.W. Jochims, H. Baumgärtel

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 169 KB

english, 2000

5

Semi-empirical study of chain conformation and absorption spectra of polyanilines: size, solvent and disorder effects

Zolacir T de Oliveira Jr., M.C dos Santos

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 154 KB

english, 2000

6

Electronic spectroscopy and structures of the van der Waals complexes of α,ω-dihaloalkanes with anthracene

Jason C Hlady, Ronald P Steer

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 181 KB

english, 2000

7

Photodissociation dynamics of CH2BrCl at 234 nm

Sung-Hae Lee, Young-Jae Jung, Kyung-Hoon Jung

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 115 KB

english, 2000

8

Impulsive IR-multiphoton dissociation of acrolein: observation of non-statistical product vibrational excitation in CO (v=1–12) by time resolved IR fluorescence spectroscopy

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 118 KB

english, 2000

9

Temperature dependent photoabsorption cross sections of allene and methylacetylene in the VUV–UV region

F.Z. Chen, D.L. Judge, C.Y.R. Wu

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 138 KB

english, 2000

10

A rigorous procedure for combining molecular dynamics and Monte Carlo simulation algorithms

Laura J. LaBerge, John C. Tully

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 139 KB

english, 2000

11

Orbital imaging for the valence shell of sulphur dioxide: comparison of EMS measurements with near Hartree–Fock limit and density functional theory

Renfei Feng, Yasuhiro Sakai, Yenyou Zheng, Glyn Cooper, C.E. Brion

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 287 KB

english, 2000

12

Recombination yield of geminate radical pairs in high magnetic fields: general results and application to free diffusion

Martin J. Hansen, Anatole A. Neufeld, Jørgen Boiden Pedersen

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 326 KB

english, 2000

13

The equilibrium N–H bond length

J. Demaison, L. Margulès, James E. Boggs

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 161 KB

english, 2000

14

Vibrational corrections to linear and nonlinear static electric properties of polyatomic molecules at non-optimum reference geometry

Victoria E. Ingamells, Manthos G. Papadopoulos, Andrzej J. Sadlej

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 118 KB

english, 2000

15

An extended SU(2) model for coupled Morse oscillators

M. Carvajal, R. Lemus, A. Frank, C. Jung, E. Ziemniak

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 277 KB

english, 2000

16

Photoionization studies of C2H5I and C6H6 perturbed by Ar and SF6

C.M Evans, J.D Scott, F.H Watson, G.L Findley

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 166 KB

english, 2000

17

Substituent effects on the intramolecular proton transfer in the ground and lowest-lying singlet excited states of salicylaldimine

Marta Forés, Miquel Duran, Miquel Solà

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 218 KB

english, 2000

18

Erratum to “Quasiclassical calculation of the chemical reaction Sr+HF” [Chemical Physics 255 (2000) 283–289]

Meng-Qiu Cai, Li Zhang, Bi-Yu Tang, Mao-Du Chen, Guo-Weo Yang, Ke-Li Han

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 38 KB

english, 2000

19

Infrared and Raman spectra of 4-(dimethylamino)benzonitrile and isotopomers in the ground state and vibrational analysis

Hiromi Okamoto, Hironori Inishi, Yuko Nakamura, Shigeru Kohtani, Ryoichi Nakagaki

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 875 KB

english, 2000

20

Cytosine anions: ab initio study

Dayle M.A Smith, Abraham F Jalbout, Johan Smets, Ludwik Adamowicz

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 142 KB

english, 2000

21

Intermolecular potential for benzoic acid–water based on the test-particle model and statistical mechanical simulations of benzoic acid in aqueous solutions

Kritsana Sagarik, Bernd M Rode

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 973 KB

english, 2000