Volume 109; Issue 2-3

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Chemical Physics
Volume 109; Issue 2-3

Chemical Physics

Volume 109; Issue 2-3

1

Quantum mechanical reactive scattering via exchange kernels: comparison of grid versus basis set expansion of the exchange interaction

Mark R. Hermann, William H. Miller

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 725 KB

english, 1986

2

A kinetic theory of reactive species accumulation

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 1.03 MB

english, 1986

3

Theoretical vibrational study of the symmetric νOH and νO…O stretching modes of the formic acid dimer in the gas phase

C. Mijoule, M. Allavena, J.M. Leclercq, Y. Bouteiller

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 603 KB

english, 1986

4

Analytic energy third derivatives for open-shell self-consistent-field wavefunctions

Jeffrey F. Gaw, Yukio Yamaguchi, Richard B. Remington, Yoshihiro Osamura, Henry F. Schaefer III

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 1.66 MB

english, 1986

5

Potential energy curves for diatomic molecules calculated with numerical basis functions

Tapio T. Rantala, Bo Wästberg, Arne Rosén

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 675 KB

english, 1986

6

The electronic states of propene studied by electron impact spectroscopy and ab initio configuration interaction calculations

Isobel C. Walker, Taher M. Abuain, Michael H. Palmer, Allan J. Beveridge

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 635 KB

english, 1986

7

A photoelectron spectroscopic and theoretical study of the halogen and hydrogen thiocyanates and isothiocyanates

Henry Leung, Roger J. Suffolk, John D. Watts

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 1.13 MB

english, 1986

8

13C and 113Cd spin-lattice relaxation studies of ATP / CdCl2 and ATP / Cd(ClO4)2 systems in aqueous solutions

Mariano Casu, Adolfo Lai, Giuseppe Saba

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 487 KB

english, 1986

9

OD ESR studies on the interaction of electrons with polar additions in liquid saturated hydrocarbons

S.N. Smirnov, O.A. Anisimov, Yu.N. Molin

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 817 KB

english, 1986

10

Orientational distribution coefficients determined by different methods and the effect of an asymmetric orientational distribution function

H.-G. Kuball, R. Weiland, V. Dolle, A. Schönhofer

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 1014 KB

english, 1986

11

Formation of the CN(B2Σ+) fragment from HCN in a discharged helium flow

Yasushi Ozaki, Tamotsu Kondow, Kozo Kuchitsu

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 979 KB

english, 1986

12

Charge-transfer excitation bands in electro-absorption spectra of metal (Co, Ni, Cu, Zn)-phthalocyanine films

Hidehumi Yoshida, Yoshinori Tokura, Takao Koda

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 755 KB

english, 1986

13

The electronic emission spectrum of IBr+ A2ΠX2Π

S.M. Mason, R.P. Tuckett

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 842 KB

english, 1986

14

A study of the collisional quenching of Ca(4s4p(3PJ)) and Ca(4s3d(1D2)) with N2O by time-resolved atomic emission and time-resolved molecular chemiluminescence from CaO

David Husain, Gareth Roberts

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 2.08 MB

english, 1986

15

Multiproperty study of the HeN2 potential energy surface

F.A. Gianturco, M. Venanzi, R. Candori, F. Pirani, F. Vecchiocattivi, A.S. Dickinson, M.S. Lee

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 1.05 MB

english, 1986

16

Quantum effects in the structure of water measured by gamma ray diffraction

J.H. Root, P.A. Egelstaff, A. Hime

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 1.53 MB

english, 1986

17

On Ps formation in moderately dense molecular gases

Finn M. Jacobsen

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 1013 KB

english, 1986

18

Subject index to volume 109

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 708 KB

english, 1986

19

Generalized selection rules for circular dichroism: a symmetry-adapted perturbation model for magnetic dipole allowed transitions

Pieter E. Schipper, Alison Rodger

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 1.80 MB

english, 1986

20

The effect of viscous flow and thermal flux on the rate of chemical reaction in dilute gases

A.S. Cukrowski, J. Popielawski

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 883 KB

english, 1986

21

Two-photon transition probability calculations: electronic transitions in methane

I. Cacelli, V. Carravetta, R. Moccia, A. Rizzo

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 841 KB

english, 1986

22

Low-coordinated phosphorus-phosphorus compounds. An ab initio study of the H2P2 and H2P+2 species

Minh Tho Nguyen

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 1005 KB

english, 1986

23

Quantum-statistical theory of proton-transfer reactions. Dynamics of proton motion in an asymmetric double-well potential interacting with a heat bath

Pavol Baňacký

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 919 KB

english, 1986

24

“Gate states” participation in collision-induced intersystem crossing in glyoxal: Experimental evidence

C. Michel, M. Lombardi, R. Jost

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 1.58 MB

english, 1986

25

Rapid electronic relaxation between spin states in the five-coordinate iron(II) complex [Fe(P4)I]BPh4

E. König, G. Ritter, J. Waigel, H.A. Goodwin

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 519 KB

english, 1986

26

Author index to volume 109

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 259 KB

english, 1986

27

List of subjects

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 109 KB

english, 1986