Volume 300; Issue 3-4

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Chemical Physics Letters
Volume 300; Issue 3-4

Chemical Physics Letters

Volume 300; Issue 3-4

1

Raman Q and S line broadening and shifting coefficients: some commonly used assumptions revisited

M.-L. Dubernet, P.A. Tuckey

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 152 KB

english, 1999

2

Luminescence due to the indirect band-gap transition activated by the inter-valence transition of Se clusters confined in 13X zeolite

Lei He, Ze Xiang Shen, Gang Gu, Li Qin, Sing Hai Tang

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 110 KB

english, 1999

3

Analytic derivative methods for evaluating nonadiabatic coupling matrix elements within the SC-QDPT method

Yuriy G. Khait, Mark R. Hoffmann

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 90 KB

english, 1999

4

Ab initio and DFT studies on the structure and binding interaction of M+CO2 (M=Sc, Ti, …, Zn)

Hong-Jun Fan, Chun-Wan Liu

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 90 KB

english, 1999

5

Incorporation of AgI clusters into the cages of zeolites LTA and FAU observed by optical spectra and X-ray diffraction patterns

Tetsuya Kodaira, Takuji Ikeda, Harutoshi Takeo

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 121 KB

english, 1999

6

A comparative study of the NH3 chemisorption on ZnO(101̄0) and Cu2O(111) non-polar surfaces

Maurizio Casarin, Chiara Maccato, Andrea Vittadini

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 155 KB

english, 1999

7

Mode selective stereomutation tunnelling in hydrogen peroxide isotopomers

Benjamin Fehrensen, David Luckhaus, Martin Quack

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 189 KB

english, 1999

8

Ground-state vibrational coherence in chlorosomes of the green sulfur photosynthetic bacterium Chlorobium phaeobacteroides

Y.-Z. Ma, J. Aschenbrücker, M. Miller, T. Gillbro

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 210 KB

english, 1999

9

Transformation of OH-adduct of 1-chloro-4-iodobutane into intra-molecular radical cation in neutral aqueous solution

Hari Mohan, D.K. Maity, S. Chattopadhyay, J.P. Mittal

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 162 KB

english, 1999

10

Electrochemical reduction of Cu2+ without surface trapping on synthetic conductive diamond electrodes

Seiichiro Nakabayashi, Donald A Tryk, Akira Fujishima, Narumi Ohta

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 214 KB

english, 1999

11

P 1s spectroscopy of SPF3: spectral assignments aided by angle-resolved photodissociation

John J Neville, Tolek Tyliszczak, Adam P Hitchcock, Astrid Jürgensen, Ron G Cavell

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 239 KB

english, 1999

12

C36, a hexavalent building block for fullerene compounds and solids

P.W. Fowler, T. Heine, K.M. Rogers, J.P.B. Sandall, G. Seifert, F. Zerbetto

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 539 KB

english, 1999

13

Constrained density-functional calculations for delocalized electrons: Hubbard parameters for polyacetylene

Heiko Meider, Michael Springborg

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 123 KB

english, 1999

14

Molecular dynamics simulation of ice XII

István Borzsák, Peter T. Cummings

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 838 KB

english, 1999

15

Influence of cross-correlation between the chemical shift anisotropies of pairs of nuclei on multiple-quantum relaxation rates in macromolecules

Timothy J Norwood, Marcus L Tillett, Lu-Yun Lian

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 97 KB

english, 1999

16

On the heats of formation of methylketene, dimethylketene and related cations

Minh Tho Nguyen, Hue Minh Thi Nguyen

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 75 KB

english, 1999

17

Studies of aqueous colloidal solutions of fullerene C60 by electron microscopy

G.V Andrievsky, V.K Klochkov, E.L Karyakina, N.O Mchedlov-Petrossyan

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 982 KB

english, 1999

18

Solid state 13C NMR and optical non-linearities study of C60 trimethylenediamine adducts

Xianwen Wei, Cheng Hu, Zhiyong Suo, Pei Wang, Weijun Zhang, Zheng Xu, E.C Alyea

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 149 KB

english, 1999

19

Kinetics of the reaction of OH with di-n-butoxymethane (DBM) in the range 298–710 K

K.H Becker, C Dinis, H Geiger, P Wiesen

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 84 KB

english, 1999

20

Solution 31P and 59Co and solid-state 31P CP/MAS NMR studies of triphenylphosphinecobaloximes

Fioretta Asaro, Roberto Gobetto, Lorenza Liguori, Giorgio Pellizer

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 137 KB

english, 1999

21

Boron–carbon nanotubes from the pyrolysis of C2H2–B2H6 mixtures

B.C Satishkumar, A Govindaraj, K.R Harikumar, Jin-Ping Zhang, A.K Cheetham, C.N.R Rao

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 1.22 MB

english, 1999

22

Photofragment translational spectroscopy of p-bromotoluene at 266 nm

Hong Zhang, Rong-shun Zhu, Guang-Jun Wang, Ke-Li Han, Guo-Zhong He, Nan-Quan Lou

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 152 KB

english, 1999

23

Advantages of double frequency sweeps in static, MAS and MQMAS NMR of spin I=3/2 nuclei

A.P.M Kentgens, R Verhagen

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 215 KB

english, 1999

24

Pure rotational spectra of 32SD+3 and 34SD+3: Determination of the substitution structure of the sulfonium ion

L Dore, C.Degli Esposti, A Mazzavillani, G Cazzoli

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 86 KB

english, 1999

25

Structures in molecular photofragment and photoelectron distributions from two-photon non-resonant excitation

A. Herwig, M. Braun, V. Engel

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 139 KB

english, 1999

26

Metallofullerenes Sc2@C82(I, II) and Sc2@C86(I, II): isolation and spectroscopic studies

Chun-Ru Wang, Masayasu Inakuma, Hisanori Shinohara

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 187 KB

english, 1999

27

Scaling of the average survival probability for low dimensional systems

Srihari Keshavamurthy

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 140 KB

english, 1999

28

The interlayer structure of a graphite–potassium–ammonia intercalation compound by neutron diffraction

J.K Walters, N.T Skipper, A.K Soper

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 175 KB

english, 1999

29

Collision-induced radio-frequency transitions in CH3I

F Tamassia, R Danieli, F Scappini

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 78 KB

english, 1999

30

Different bases for different correlation effects: multireference Møller–Plesset perturbation theory in the extended basis function space

Kenichi Nakayama, Kimihiko Hirao, Roland Lindh

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 82 KB

english, 1999

31

VUV photodesorption of molecular hydrogen from the hydrogenated silicon(111) surface

U Wetterauer, A Pusel, P Hess

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 159 KB

english, 1999

32

Electron binding energies in linear dipole-bound (HCN)n− (n=2–5) anions

Maciej Gutowski, Piotr Skurski

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 192 KB

english, 1999

33

The atomization energy of Mg4

Charles W. Bauschlicher Jr, Harry Partridge

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 64 KB

english, 1999

34

Influence of the lanthanide contraction on the transition temperatures of rare-earth containing metallomesogens with Schiff base ligands

K Binnemans, R Van Deun, D.W Bruce, Yu.G Galyametdinov

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 103 KB

english, 1999

35

The thermal decomposition of pyrrole: an ab initio quantum chemical study of the potential energy surface associated with the hydrogen cyanide plus propyne channel

George B Bacskay, Muhamad Martoprawiro, John C Mackie

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 236 KB

english, 1999

36

Individualized optically induced orientation of photochemical isomers

Hidekazu Ishitobi, Zouheir Sekkat, Satoshi Kawata

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 206 KB

english, 1999

37

Theoretical studies of the actinides: method calibration for the UO22+ and PuO22+ ions

Nina Ismail, Jean-Louis Heully, Trond Saue, Jean-Pierre Daudey, Colin J Marsden

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 93 KB

english, 1999