Volume 248; Issue 5-6

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Chemical Physics Letters
Volume 248; Issue 5-6

Chemical Physics Letters

Volume 248; Issue 5-6

1

Symmetries of closed-shell icosahedral fullerenes

Fu Qiang Huang, Au Chin Tang

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 301 KB

english, 1996

2

Curvature versus nuclear relaxation contributions to the static vibrational polarizability of polyacetylene chains

Benoît Champagne, Hervé Vanderhoeven, Éric A. Perpète, Jean-Marie André

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 537 KB

english, 1996

3

The HS → LS relaxation under external pressure in the Fe(II) spin-crossover system [Zn1−xFex(ptz)6](BF4)2(ptz = 1-propyltetrazole, x = 0.1)

Jelena Jeftić, Andreas Hauser

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 373 KB

english, 1996

4

Photolysis of N2O at 125 nm in Ar matrices at 15 K: further evidence for the 120.7 nm band of O(3P)

Murthy S. Gudipati

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 484 KB

english, 1996

5

Solvent/C60 interactions evidenced in the resonance Raman spectrum of C60

Sean H. Gallagher, Robert S. Armstrong, Peter A. Lay, Christopher A. Reed

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 469 KB

english, 1996

6

Infrared degenerate four wave mixing spectroscopy of jet-cooled C2H2

Y. Tang, S.A. Reid

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 425 KB

english, 1996

7

The relativistic four-component coupled cluster method for molecules: spectroscopic constants of SnH4

Ephraim Eliav, Uzi Kaldor

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 279 KB

english, 1996

8

A theoretical study of the electronic spectrum of terthiophene

Mercedes Rubio, Manuela Merchán, Enrique Ortí, Björn O. Roos

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 652 KB

english, 1996

9

Radiative lifetimes, quenching cross sections and population mechanisms of the C1Πu, 23Πg and 1 3Δg states of 7Li2

Th. Weyh, K. Ahmed, W. Demtröder

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 653 KB

english, 1996

10

Isomer counting and isomer permutation representation

Yihan Shao, Jian Wu, Yuansheng Jiang

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 413 KB

english, 1996

11

On the structure and vibrational frequencies of C20

Jan M.L. Martin, Jamal El-Yazal, Jean-Pierre François

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 553 KB

english, 1996

12

Geometry and electronic structure of porphyrins and porphyrazines

D. Lamoen, M. Parrinello

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 488 KB

english, 1996

13

Structural features for hydrated CN− clusters at room temperature

Tohru Ikeda, Kichisuke Nishimoto, Toshio Asada

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 465 KB

english, 1996

14

Towards accurate exchange-correlation potentials for molecules

Victoria E. Ingamells, Nicholas C. Handy

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 341 KB

english, 1996

15

An ultrafast time-resolved UV/visible absorption study of the UV photochemistry of [(η5-C5H5)Fe(CO)2]2

Caroline J. Arnold, Tian-Qing Ye, Robin N. Perutz, Ronald E. Hester, John N. Moore

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 429 KB

english, 1996

16

Superexcited states of CO near the first ionization threshold

Miyabi Hiyama, Hiroki Nakamura

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 359 KB

english, 1996

17

A time-resolved electron nuclear double resonance study of the photoexcited triplet state of P680 in isolated reaction centers of photosystem II

M. Di Valentin, C.W.M. Kay, G. Giacometti, K. Möbius

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 536 KB

english, 1996

18

Isotope variations of exchange and dissociation reactions in collinear He + H2+ collisions

Kazuhiro Sakimoto

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 344 KB

english, 1996

19

The potential energy surface and the highly excited vibrational band origins of the water molecule

Daiqian Xie, Guosen Yan

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 298 KB

english, 1996

20

Comment on “a generalized fast multipole approach for Hartree-Fock and density functional computations”

Christopher A. White, Benny G. Johnson, Peter M.W. Gill, Martin Head-Gordon

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 116 KB

english, 1996

21

Reply to Comment on “a generalized fast multipole approach for Hartree-Fock and density functional computations”

Ramzi Kutteh, E. Aprà, Jeff Nichols

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 151 KB

english, 1996

22

The geometry, vibrational frequencies, and total atomization energy of ethylene. A calibration study

Jan M.L. Martin, Peter R. Taylor

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 628 KB

english, 1996

23

Analytical description of selective excitation in pulsed EPR and application to the two-pulse coherent Raman beat experiment

Eric C. Hoffmann, Gunnar Jeschke, Arthur Schweiger

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 576 KB

english, 1996

24

The cooperative Jahn-Teller effect on a two-dimensional molecular layer

Andrzej L. Sobolewski

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 485 KB

english, 1996

25

Quantum beat spectroscopy of jet-cooled transient radicals generated by a pulsed electrical discharge

Ian M. Povey, Robert T. Carter, H. Bitto, J. Robert Huber

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 441 KB

english, 1996

26

Quantum delocalization of nuclei and electrons: cyclobutadiene

Johannes Schütt, Michael C. Böhm, Rafael Ramírez

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 562 KB

english, 1996

27

Electron spin echo detection of quantum beats and double-quantum coherence in spin-correlated radical pairs of protonated photosynthetic reaction centers

Sergei A. Dzuba, Martin K. Bosch, Arnold J. Hoff

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 454 KB

english, 1996

28

Author index to volume 248

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 405 KB

english, 1996

29

Wavepacket calculations on ion-molecule reactions: the co-planar approximation

Nikola Marković, Gert D. Billing

Journal:

Chemical Physics Letters

Année:

1996

Langue:

english

Fichier:

PDF, 450 KB

english, 1996