Volume 214; Issue 2-3

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Chemical Physics
Volume 214; Issue 2-3

Chemical Physics

Volume 214; Issue 2-3

1

Potential energy curve of the XO+(1∑+) ground state of HgAr determined from AO+(3II) → XO+ and B1(3∑+) → XO+ fluorescence spectra (Chemical Physics 211 (1996) 191–201)

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 95 KB

english, 1997

2

Photophysics of 4-dimethylamino 4′-cyanostilbene and model compounds: dual excited states revealed by sub-picosecond transient absorption and Kerr ellipsometry

E. Abraham, J. Oberlé, G. Jonusauskas, R. Lapouyade, C. Rullière

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 1.06 MB

english, 1997

3

Polarization propagator study of electronic excitation in key heterocyclic molecules I. Pyrrole

A.B. Trofimov, J. Schirmer

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 1.25 MB

english, 1997

4

Calculation of ground- and excited-state potential energy curves for the Hg2 molecule in a pseudopotential approach

E. Czuchaj, F. Rebentrost, H. Stoll, H. Preuss

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 942 KB

english, 1997

5

Charge-transfer states and the band gap in crystalline fullerene

Andrzej Eilmes, Robert W. Munn, Barbara Pac, Piotr Petelenz

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 724 KB

english, 1997

6

A classical approach to resonant low-energy electron scattering off molecules: application to the a1-shape resonance of CF3CL

Lucia Lehr, Jörn Manz, William H. Miller

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 682 KB

english, 1997

7

Common features of various mechanisms of electron transfer across a 4,4′-bipyridine bridge: a theoretical evaluation of resonance structures of the transition state

Padeleimon Karafiloglou

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 912 KB

english, 1997

8

A new potential for the description of intermolecular interactions for rigid biaxial molecules

Valeriy V. Ginzburg, Matthew A. Glaser, Noel A. Clark

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 506 KB

english, 1997

9

Ab initio calculations of S1 excited state vibrational spectra of benzene, naphthalene and anthracene

Gouri S. Jas, Krzysztof Kuczera

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 927 KB

english, 1997

10

A Møller-Plesset perturbation theory and coupled-cluster study of the reaction enthalpies and barrier heights for the FCO + H2 → HFCO + H abstraction reaction

Joseph S. Francisco

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 310 KB

english, 1997

11

Optical spectroscopy, fluorescence dynamics and crystal-field analysis of Er3+ in YVO4

J.A. Capobianco, P. Kabro, F.S. Ermeneux, R. Moncorgé, M. Bettinelli, E. Cavalli

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 740 KB

english, 1997

12

On the degress of circularity for various kinds of polarized light in a nonpolar liquid mixture

Dong J. Lee, Kyoung-Ran Kim

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 344 KB

english, 1997

13

Influence of rotational diffusion on the electric field induced effect on the fluorescence spectrum of diluted solutions I. Theory and numerical simulations

Heribert Reis, Wolfram Baumann

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 1.15 MB

english, 1997

14

Vacuum-UV fluorescence spectroscopy of CF3X(X=F,H,Cl,Br) in the range 10–30 eV

H. Biehl, K.J. Boyle, R.P. Tuckett, H. Baumgärtel, H.W. Jochims

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 912 KB

english, 1997

15

Water residence times around copper plastocyanin: a molecular dynamics simulation approach

Claudia Rocchi, Anna Rita Bizzarri, Salvatore Cannistraro

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 1.14 MB

english, 1997

16

Electron attachment products of methylene chloride in solid argon: an experimental and quantum chemical IR spectroscopic study

Andreas Richter, Hermann Meyer, Thorsten Kausche, Thomas Müller, Walter Sporleder, Armin Schweig

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 532 KB

english, 1997

17

Using triazine as coupling unit for intra and intermolecular ferromagnetic coupling I

Jingping Zhang, Martin Baumgarten

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 580 KB

english, 1997

18

Author index to volume 214

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 221 KB

english, 1997

19

Subject index of volume 214

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 651 KB

english, 1997

20

Tunnelling of the one-dimensional rotor NH3D+ in the NH4ClO4 and NH4PF6 lattices

H.G. Büttner, G.J. Kearley, B. Frick

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 351 KB

english, 1997

21

A spectroscopic and photoisomerisation study of bromine dioxides in argon matrices

Jennifer Kölm, Anders Engdahl, Otto Schrems, Bengt Nelander

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 494 KB

english, 1997

22

Theoretical study of the reaction of hydrogen with nitric acid: ab initio MO and TST/RRKM calculations

J.W. Boughton, Sandor Kristyan, M.C. Lin

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 522 KB

english, 1997

23

Dispersive transport of triplet excitation of benzaldehyde in solid ethanol solution

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 346 KB

english, 1997

24

The use of threshold photoelectron - fluorescence photon coincidence spectroscopy for the measurement of the radiative lifetimes of emitting states of CF3X+ (X = F, H, Cl, Br) ions

H. Biehl, K.J. Boyle, D.M. Smith, R.P. Tuckett

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 836 KB

english, 1997

25

The molecular and electronic states of 1,2,4,5-tetrazine studied by VUV absorption, near-threshold electron energy-loss spectroscopy and ab initio multi-reference configuration interaction studies

Michael H. Palmer, Hamish McNab, David Reed, Anne Pollacchi, Isobel C. Walker, Martyn F. Guest, Michele R.F. Siggel

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 1.34 MB

english, 1997

26

Electronic charge density transfer along a constrained reaction path from a hydronium ion configuration into a hydrogen chemisorption state on Cu(100)

An.M. Kuznetsov, W. Lorenz

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 663 KB

english, 1997