Volume 178; Issue 1-3

Main
Chemical Physics
Volume 178; Issue 1-3

Chemical Physics

Volume 178; Issue 1-3

1

The Green function method in the theory of nuclear and electron spin polarization. I. General theory, zero approximation and applications

P.A. Purtov, A.B. Doktorov

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.34 MB

english, 1993

2

Disordered polaron transport: a theoretical description of the motion of photoinjected charges in molecularly doped polymers

D.H. Dunlap, V.M. Kenkre

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 927 KB

english, 1993

3

On the relative stabilities of the linear and triangular forms of B3N

Zdeněk Slanina, Jan M.L. Martin, Jean-Pierre François, Renaat Gijbels

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 469 KB

english, 1993

4

Density dependent structural properties of dilute mixtures of OCS with argon. A molecular dynamics investigation

J. Samios, D. Dellis, H. Stassen

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 872 KB

english, 1993

5

Forward and reverse excitation energy transport and concentration depolarization in two-component systems

L. Kua̵k, C. Bojarski

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.44 MB

english, 1993

6

Scaled ab initio force field of E- and Z-hexatriene in the S0 and T1 states

Fabrizia Negri, Giorgio Orlandi, Francesco Zerbetto, Paolo Palmieri, Riccardo Tarroni

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 957 KB

english, 1993

7

Sum rules for atomic polar and axial tensors from vibronic coupling theory

Danya Yang, Arvi Rauk

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 659 KB

english, 1993

8

Potential energy surfaces of ozone in its ground state and in the lowest-lying eight excited states

Antonio Banichevich, Sigrid D. Peyerimhoff, Friedrich Grein

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 2.69 MB

english, 1993

9

Valence electronic structure of a long-chain alkane in random-coil forms. Gas-phase UPS of n-C36H74 and MO calculations

Kazuhiko Seki, Naoki Sato, Hiroo Inokuchi

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 669 KB

english, 1993

10

Ro-vibronic spectrum of the N2O+ ion in the X 2Π state

Hager Gritli, Zohra Ben Lakhdar, Gilberte Chambaud, Pavel Rosmus

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 835 KB

english, 1993

11

Effective core potential study of transition metal and lanthanide catalyzed hydrogen exchange

Thomas R. Cundari, Walter J. Stevens, Shaun O. Sommerer

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 811 KB

english, 1993

12

Theoretical calculations of the quartet potential energy surfaces in the NH+ + H2 system

Rudolf Polák, Ivana Paidarová, Philip J. Kuntz

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 722 KB

english, 1993

13

Are there geometric isomers of the van der Waals dimers ArOCS and ArSO2?

Richard G.A. Bone

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 2.06 MB

english, 1993

14

Theoretical study of the lowest potential energy surfaces for the reaction O(3P) + HBr(X 1∑+) → OH(X 2Π) + Br(2P)

Jan Urban, Volker Staemmler

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 692 KB

english, 1993

15

A quasiclassical trajectory study of the effect of the initial rovibrational level and relative translational energy of reactants on the dynamics of the N(4Su) + O2(X 3∑−g) → NO(X 2Π) + O(3Pg) atmospheric reaction on the 2A′ ground potential energy surface

Miquel Gilibert, Antonio Aguilar, Miguel González, R. Sayós

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.57 MB

english, 1993

16

A detailed SACM study of the H+NO→HNO reaction based on a realistic potential energy surface

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.06 MB

english, 1993

17

Zeeman effect in T1u symmetry vibrational states of C60 fullerene

Marek Pawlikowski, Mariusz Pilch, Timothy A. Keiderling

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 691 KB

english, 1993

18

Vibrational exchange in the manifold of high-frequency vibrations of the CH2F2 molecule

P.I. Ionov, A.A. Kosterev, A.L. Malinovsky, E.A. Ryabov

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 654 KB

english, 1993

19

Structural relaxation in amorphous biphenyl and a new crystalline phase

Hideyuki Nakayama, Masataka Kawahara, Kikujiro Ishii

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 441 KB

english, 1993

20

The electronic spectrum of carbon dioxide. Discrete and continuum photoabsorption oscillator strengths (6–203 eV)

W.F. Chan, G. Cooper, C.E. Brion

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 967 KB

english, 1993

21

Time resolution of ion pair formation in poly(N-vinylcarbazole)

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 694 KB

english, 1993

22

Fluorescence lifetime measurements and hole-burning experiments on J-aggregates of a benzimidocarbocyanine dye

M. Lindrum, A. Glismann, J. Moll, S. Daehne

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 870 KB

english, 1993

23

Optical properties of a streptocyanine dye single crystal with tubelike aggregation: bis(dimethylamino)-heptamethinium tetrafluoroborate BDH+BF−4

L. Dähne, A. Horvath, G. Weiser

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 772 KB

english, 1993

24

The electronic absorption spectra and bonding of cobalt(II) doped into the low-symmetry hosts, KCdCl3 and KCdBr3

Robbie G. McDonald, Aamer A. Al-Waili, W. Ewen Smith

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.49 MB

english, 1993

25

Absorption and emission spectra of C6F5X+ (X = H, F, Cl, Br, and I) radical cation in perfluorohexane matrix

T. Oomori, T. Hikida

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 433 KB

english, 1993

26

Normal modes of 4-aminobenzonitrile (4-ABN). A comparison of PM3 calculations with experimental jet-cooled spectroscopy

Haiping Yu, Evelyn Joslin, Sharifuddin M. Zain, Henry Rzepa, David Phillips

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 696 KB

english, 1993

27

Excited-state intramolecular proton transfer in jet-cooled 1-hydroxy-2-acetonaphthone

A. Douhal, F. Lahmani, A. Zehnacker-Rentien

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.06 MB

english, 1993

28

Reveal of local symmetry of electron-vibration interactions in fine-structure fluorescence spectra of complex molecules. Amino- and hydroxy-tetrasubstituted anthraquinones

E.A. Gastilovich, K.V. Mikhailova

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.55 MB

english, 1993

29

Characterization of Tl-rare gas complexes and comparison with other group 3A metal complexes

A. Stangassinger, J. Scheuchenpflug, T. Prinz, V.E. Bondybey

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.13 MB

english, 1993

30

Time-resolved LIF spectroscopy on N2(A) metastable in a He/N2 pulsed rf discharge

S. De Benedictis, G. Dilecce, M. Simek

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.18 MB

english, 1993

31

A 2+1 REMPI study of the E-X transition in CO. Indirect predissociations in the E 1Π state

J. Baker, J.L. Lemaire, S. Couris, A. Vient, D. Malmasson, F. Rostas

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.02 MB

english, 1993

32

Singlet state energy levels of C2H2+4 by double charge transfer spectroscopy

P.G. Fournier, J. Fournier, M.L. Langford, F.M. Harris

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 795 KB

english, 1993

33

Small angle X-ray scattering and viscoelastic studies of the molecular shape and colloidal structure of bovine and rat serum albumins in aqueous systems

Takayoshi Matsumoto, Hiroshi Inoue

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 584 KB

english, 1993

34

Structural phase transitions and orientational ordering in C70

Gavin B.M. Vaughan, Paul A. Heiney, David E. Cox, John E. Fischer, Andrew R. McGhie, Allan L. Smith, Robert M. Strongin, Maria A. Cichy, Amos B. Smith III

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.33 MB

english, 1993

35

Numerical application of the coupled cluster theory with localized orbitals to polymers. I. Total correlation energy per unit cell

Yuan-Jie Ye, Wolfgang Förner, Janos Ladik

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.86 MB

english, 1993

36

An investigation of the outermost orbital momentum distributions of formaldehyde, acetaldehyde and acetone, by electron momentum spectroscopy and quantum chemical calculations at the SCF and MRSD-CI levels

B.P. Hollebone, P. Duffy, C.E. Brion, Y. Wang, E.R. Davidson

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.32 MB

english, 1993

37

Theoretical investigations of the electronic spectra of ZnCH3. Analysis of spin-orbit coupling and Jahn-Teller effect

Ch. Jamorski, A. Dargelos, Ch. Teichteil, J.P. Daudey

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 700 KB

english, 1993

38

Molecular dynamics simulation of the plastic phase of 2-methyl-2-nitropropane

Santina Labate, Gianni Cardini, Roberto Righini, Salvatore Califano

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 960 KB

english, 1993

39

The rovibrational ν2 Raman spectrum of ammonia: a comparison of theory and experiment

P.E.S. Wormer, E.H.T. Olthof, R.A.H. Engeln, J. Reuss

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.29 MB

english, 1993

40

Theoretical studies of the electronic spectrum of SiF2

Z.-L. Cai, J.-L. Bai

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 568 KB

english, 1993

41

A matrix isolation study of the inter- and intramolecular vibrations of the water-acetone complex

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 848 KB

english, 1993

42

Statistical simulation of IF angle and angle—velocity distributions from the crossed beam reaction F+I2→IF+I

Per-Anders Elofson, Leif Holmlid

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.08 MB

english, 1993

43

Splitting of the 1s−1 3p resonance in sulfur K XANES by surroundings in compounds with sulfurcarbon double bond

K.-H. Hallmeier, A.A. Pavlychev, R. Szargan, L. Beyer, C. Hennig, F. Thiel

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 663 KB

english, 1993

44

Ground- and lowest excited-state MRDCI potential-energy surfaces for the collinear Li+HF reaction

Cristina Suárez, Alfredo Aguado, Miguel Paniagua

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 518 KB

english, 1993

45

Laser excitation and emission spectroscopy of the methoxy radical in a supersonic jet

Prabhakar Misra, Xinming Zhu, Ching-Yu Hsueh, Joshua B. Halpern

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 735 KB

english, 1993

46

The electronic spectrum of water in the discrete and continuum regions. Absolute optical oscillator strengths for photoabsorption (6–200 eV)

W.F. Chan, G. Cooper, C.E. Brion

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.08 MB

english, 1993

47

Measurement of very long (107 s) spin conversion times: dimethyl-s-tetrazine in durene

M. Joyeux, B. Prass, C. von Borczyskowski, J.-C. Vial, H.P. Trommsdorff

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.23 MB

english, 1993

48

Study of isotope effects in the ground state of the symmetrical isotopomers of CuCl2

P. Crozet, J.C. Coste, R. Bacis, A.J. Bouvier, S. Churassy, A.J. Ross

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 748 KB

english, 1993

49

Radiative lifetimes of the A 2Σ+12 and X22Π32 states of lead monohalides

O. Shestakov, H. Demes, E.H. Fink

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 580 KB

english, 1993

50

Erratum

Journal:

Chemical Physics

Year:

1993

File:

PDF, 20 KB

1993

51

Author index to volume 178

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 376 KB

english, 1993

52

Subject index to volume 178

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1018 KB

english, 1993

53

Thermodynamic perturbation theory of charged hard spheres in a uniform neutralizing background

Jae Weon Lee, Mu Shik Jhon, Francis H. Ree

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 625 KB

english, 1993