Volume 272; Issue 3-4

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Chemical Physics Letters
Volume 272; Issue 3-4

Chemical Physics Letters

Volume 272; Issue 3-4

1

Ab initio molecular dynamics around a conical intersection: Li(2p) + H2

Todd J. Martínez

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 885 KB

english, 1997

2

Ab initio propagator analysis of triple-charge-transfer spectra for carbon disulphide

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 569 KB

english, 1997

3

Density functional calculation of phenoxyl radical and phenolate anion: an examination of the performance of DFT methods

Obinna Nwobi, James Higgins, Xuefeng Zhou, Ruifeng Liu

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 507 KB

english, 1997

4

Protonation effects on the chromophore of green fluorescent protein. Quantum chemical study of the absorption spectrum

Alexander A. Voityuk, Maria-Elisabeth Michel-Beyerle, Notker Rösch

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 542 KB

english, 1997

5

The importance of 2s bonding contributions for the core level binding energies in organic compounds

Paul S. Bagus, Francesc Illas, Jordi Casanovas

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 523 KB

english, 1997

6

Bonding, bending and the ground state of CrCl2

Adam J. Bridgeman, Catherine H. Bridgeman

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 434 KB

english, 1997

7

Well-aligned graphitic nanofibers synthesized by plasma-assisted chemical vapor deposition

Yan Chen, Zhong Lin Wang, Jin Song Yin, David J. Johnson, R.H. Prince

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 414 KB

english, 1997

8

On the singlet—triplet splittings of the Ag and Au states of C60

Toshiki Hara, Susumu Narita, Tai-ichi Shibuya

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 441 KB

english, 1997

9

Change in band structure of orthorhombic Rb1C60 with the chain rotation modeling merohedral disorder

Kazuyoshi Tanaka, Takeshi Saito, Yosiaki Oshima, Tokio Yamabe, Hisayoshi Kobayashi

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 328 KB

english, 1997

10

Problems and scope of spiral algorithms and spiral codes for polyhedral cages

Gunnar Brinkmann

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 423 KB

english, 1997

11

Hyperpolarizabilities of Si clusters: model calculations to interpret second-harmonic generation from SiO2/Si(111) interface

Mutsumi Tomonari, Norio Ookubo, Toshikazu Takada, Hiroyuki Hirayama

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 848 KB

english, 1997

12

Ultrafast electron dynamics in two dimensional layered systems: two-photon photoemission studies of SnS2

S. Xu, C.C. Miller, S.J. Diol, Y. Gao, D.A. Mantell, M.G. Mason, A.A. Muenter, L.I. Sharp, B.A. Parkinson, R.J.D. Miller

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 892 KB

english, 1997

13

Selective modification of reaction sites for carbon monoxide oxidation on a platinum (113) surface

H. Akiyama, C. Moise, T. Yamanaka, K. Jacobi, T. Matsushima

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 580 KB

english, 1997

14

Spectroscopic studies of inclusion of 4H-1-benzopyran-4-thione in a β-cyclodextrin cavity

Marek Milewski, Andrzej Maciejewski, Włodzimierz Augustyniak

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 615 KB

english, 1997

15

Ion-pair states of the ClO radical observed by multiphoton ionisation spectroscopy

Martin J. Cooper, Trinidad Diez-Rojo, Leon J. Rogers, Colin M. Western, Michael N.R. Ashfold, Jeffrey W. Hudgens

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 694 KB

english, 1997

16

Fluorescence quenching of NCO in CH4/O2 and CH4/air premixed low pressure flames

A.P. Baronavski, J.C. Owrutsky, L. Pasternack

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 545 KB

english, 1997

17

SQUID detected NMR of laser-polarized xenon at 4.2 K and at frequencies down to 200 Hz

Dinh M. TonThat, M. Ziegeweid, Y.-Q. Song, E.J. Munson, S. Appelt, A. Pines, John Clarke

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 494 KB

english, 1997

18

Confirmation of syn—anti isomerism of 2,5-dimethoxydicyanoquinonediimine radical anions in solution

Antonio Barbon, Albert W. Marsman, Gabriella Romanut, Ernst van Faassen, Leonardus W. Jenneskens

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 628 KB

english, 1997

19

An experimental investigation of the effect of rotation on the rate of unimolecular decomposition of NO2

P.I. Ionov, I. Bezel, S.I. Ionov, C. Wittig

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 738 KB

english, 1997

20

Polyurethanes containing boron chromophores as sidechains for nonlinear optics

Catherine Branger, Minh Lequan, Rose Marie Lequan, Maryanne Large, François Kajzar

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 457 KB

english, 1997

21

Electron capture processes in the collision between rubidium ions and sodium neutral atoms by crossed molecular beams

T. Romero, J. de Andrés, M. Albertí, J.M. Lucas, A. Aguilar

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 642 KB

english, 1997

22

Chemical exchange effect on the intensities of the 2D NOE cross peaks

Jiang-Li Yan, Xi-An Mao, Liang-Fang Shen

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 422 KB

english, 1997

23

Quantum mechanical treatment of stationary and dynamical properties of bound vibrational systems. Application to the relaxation dynamics of Ag5 after an electron photodetachment

Markus Warken, V. Bonačić-Koutecký

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 982 KB

english, 1997

24

Order-resolved sideband separation in magic angle spinning NMR of half integer quadrupolar nuclei

Dominique Massiot, Valérie Montouillout, Franck Fayon, Pierre Florian, Catherine Bessada

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 573 KB

english, 1997

25

13-Atom NiAl alloy clusters: correlation between structural and dynamical properties

E.B. Krissinel', J. Jellinek

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 1.04 MB

english, 1997