Volume 244; Issue 2-3

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Chemical Physics
Volume 244; Issue 2-3

Chemical Physics

Volume 244; Issue 2-3

1

Dispersive charge separation and conformational cooling of P+HA− in reaction centers of Rb. sphaeroides R26: a spontaneous emission study

A. Ogrodnik, G. Hartwich, H. Lossau, M.E. Michel-Beyerle

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 317 KB

english, 1999

2

Reduction of uranyl by hydrogen: an ab initio study

Valérie Vallet, Bernd Schimmelpfennig, Laurent Maron, Christian Teichteil, Thierry Leininger, Odd Gropen, Ingmar Grenthe, Ulf Wahlgren

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 90 KB

english, 1999

3

Investigation of the low-lying excited states of PuO22+

Laurent Maron, Thierry Leininger, Bernd Schimmelpfennig, Valérie Vallet, Jean-Louis Heully, Christian Teichteil, Odd Gropen, Ulf Wahlgren

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 80 KB

english, 1999

4

The effect of an external electric field on the structure of liquid water using molecular dynamics simulations

Dong Hyun Jung, Jung Hwan Yang, Mu Shik Jhon

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 373 KB

english, 1999

5

The thiyl peroxyl radical: formation and UV spectrum. A multiconfigurational ab initio study

S. Lacombe, M. Loudet, H. Cardy, A. Dargelos

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 155 KB

english, 1999

6

Hydration of cytosine using combined discrete/SCRF models: influence of the number of discrete solvent molecules

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 499 KB

english, 1999

7

Collision dynamics and surface wetting of nano-scale polymer particles on substrates

Kazuhiko Fukui, Bobby G. Sumpter, Keith Runge, Chung-Yi Kung, Michael D. Barnes, Donald W. Noid

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 2.27 MB

english, 1999

8

A method to obtain meV-collision-energy resolution in scattering studies: application to the H+D2 → HD(ν′=0, j′)+D(θrel

Sharon Kennedy, Kushlani Dharmesena, Steven Moser, Marcis Auzinsh, Neil E. Shafer-Ray

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 275 KB

english, 1999

9

Tunneling splittings in vibrational spectra of non-rigid molecules: V. Reconstruction of the Hamiltonian from quantum chemical data

V.A. Benderskii, E.V. Vetoshkin, H.P. Trommsdorff

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 329 KB

english, 1999

10

Excited charge transfer states in donor–acceptor indole derivatives

Paweł Borowicz, Jerzy Herbich, Andrzej Kapturkiewicz, Jacek Nowacki

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 234 KB

english, 1999

11

Tunneling splittings in vibrational spectra of non-rigid molecules: VI. Asymmetric double-well potentials

V.A. Benderskii, E.V. Vetoshkin, H.P. Trommsdorff

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 227 KB

english, 1999

12

Theoretical study of interstellar hydroxylamine chemistry: protonation and proton transfer mediated by H3+

Pascal Boulet, Francois Gilardoni, Jacques Weber, Henry Chermette, Yves Ellinger

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 1.60 MB

english, 1999

13

Ab initio study of the addition of atomic carbon with water

Der-Yan Hwang, Alexander M Mebel, Bo-Cheng Wang

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 134 KB

english, 1999

14

Dynamics of ionization processes of methanol dimer: a direct ab initio dynamics study

Hiroto Tachikawa

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 245 KB

english, 1999

15

Absorption line shape of Frenkel excitons in one-dimensional random chains with pairwise correlated Gaussian disorder

F. Domı́nguez-Adame, V.A. Malyshev, A. Rodrı́guez

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 135 KB

english, 1999

16

Index

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 76 KB

english, 1999

17

A scaling procedure in a many-particle derivation of the non-Markovian binary kinetic equations of the reaction A+B→B in liquid solutions

A.A. Kipriyanov, I.V. Gopich, A.B. Doktorov

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 107 KB

english, 1999

18

Auger electron spectra of CF3CN, CF3Cl, CF2Cl2 and CFCl3

Y. Shimizu, K. Ueda, H. Chiba, M. Okunishi, K. Ohmori, Y. Sato, I.H. Suzuki, T. Ibuki, K. Okada

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 173 KB

english, 1999

19

Theory of weak damped H-bonds: relative influence of relaxation mechanisms on IR spectra

Paul Blaise, Olivier Henri-Rousseau, André Grandjean

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 3.74 MB

english, 1999

20

Infrared spectrum and structure of Ni(CO)2: A matrix isolation and DFT study

L Manceron, M.E Alikhani

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 309 KB

english, 1999

21

Calculation of the conformational dependence of valence and Rydberg states in n-tetrasilane

Raül Crespo, Hiroyuki Teramae, Dean Antic, Josef Michl

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 542 KB

english, 1999

22

Reverse intersystem crossing from a triplet state of rose bengal populated by sequential 532- +1064-nm laser excitation

J.M Larkin, W.R Donaldson, T.H Foster, R.S Knox

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 187 KB

english, 1999

23

Many-particle treatment of nonuniform reacting systems A+B→C and A+B→C+D in liquid solutions

O.A. Igoshin, A.A. Kipriyanov, A.B. Doktorov

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 185 KB

english, 1999

24

Structure and dynamics of the symmetric hydrogen bond in potassium hydrogen maleate: a neutron scattering study

F. Fillaux, N. Leygue, J. Tomkinson, A. Cousson, W. Paulus

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 788 KB

english, 1999

25

Adsorption of small polar molecules as a probe of the surface electric field created by water layers supported by MgO(100): a theoretical study

C. Toubin, S. Picaud, C. Girardet

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 1.60 MB

english, 1999

26

Index

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 48 KB

english, 1999