Volume 313; Issue 3-4

Main
Chemical Physics Letters
Volume 313; Issue 3-4

Chemical Physics Letters

Volume 313; Issue 3-4

1

Fragment molecular orbital method: an approximate computational method for large molecules

Kazuo Kitaura, Eiji Ikeo, Toshio Asada, Tatsuya Nakano, Masami Uebayasi

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 197 KB

english, 1999

2

Substituent-sensitive anisotropic rotations of 9-acetoxy-10-phenylanthracenes: fluorescence anisotropy decay and quantum-mechanical study

Jacek Szubiakowski, Aleksander Balter, Wieslaw Nowak, Krzysztof Wisniewski, Krzysztof Aleksandrzak

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 311 KB

english, 1999

3

Non-additive effects in small gold clusters

G. Bravo-Pérez, I.L. Garzón, O. Novaro

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 154 KB

english, 1999

4

Rate constants for the reactions of CN with C6–C8 unsaturated hydrocarbons: the relations between the reaction rates and the molecular lengths

Tomoki Ochimizu, Kanekazu Seki, Mikio Yagi, Joshua B. Halpern, Hideo Okabe

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 150 KB

english, 1999

5

A new methodology for predicting shape and size distribution of micelles

Masahiro Kinoshita, Yoshiki Sugai

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 266 KB

english, 1999

6

Radiative defects and optical response in oriented para-hexaphenyl films

M. Ariu, G. Bongiovanni, M.A. Loi, A. Mura, A. Piaggi, L. Rossi, W. Graupner, F. Meghdadi, G. Leising

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 138 KB

english, 1999

7

Spectroscopic properties of individual pressure-polymerized phases of C60

V.M Senyavin, V.A Davydov, L.S Kashevarova, A.V Rakhmanina, V Agafonov, H Allouchi, R Céolin, G Sagon, H Szwarc

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 163 KB

english, 1999

8

Density dependent vibrational relaxation in supercritical fluids

D.J. Myers, Motoyuki Shigeiwa, M.D. Fayer, Binny J. Cherayil

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 144 KB

english, 1999

9

Fluorescence lifetimes of terrylene in solid matrices

Greg S Harms, Thomas Irngartinger, Daniel Reiss, Alois Renn, Urs P Wild

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 94 KB

english, 1999

10

Excited state dynamics of H2CN radicals

Eugene J Bernard, Brian R Strazisar, H.Floyd Davis

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 163 KB

english, 1999

11

Steric asymmetry in state-resolved NO–Ar collisions

M.J.L. de Lange, M. Drabbels, P.T. Griffiths, J. Bulthuis, S. Stolte, J.G. Snijders

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 137 KB

english, 1999

12

Evidence for steric effect in methyl chloride ionization by metastable argon atoms

H. Ohoyama, H. Kawaguchi, M. Yamato, T. Kasai, B.G. Brunetti, F. Vecchiocattivi

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 221 KB

english, 1999

13

Fullerene decomposition induced by near-infrared laser radiation studied by real-time turbidimetry

L Juha, B Ehrenberg, S Couris, E Koudoumas, V Hamplová, Z Pokorná, A Müllerová, M Pavel

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 154 KB

english, 1999

14

Global potential energy surfaces for the CO2 and CS2 molecules

José Zúñiga, Adolfo Bastida, Mercedes Alacid, Alberto Requena

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 186 KB

english, 1999

15

Gaussian-3 theory: a variation based on third-order perturbation theory and an assessment of the contribution of core-related correlation

Larry A. Curtiss, Paul C. Redfern, Krishnan Raghavachari, John A. Pople

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 82 KB

english, 1999

16

Substituent and solvent effects on the short-time A-band photodissociation dynamics of CF2I2

Xuming Zheng, David Lee Phillips

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 134 KB

english, 1999

17

The energy gap of carbon clusters studied by scanning tunneling spectroscopy

M Lonfat, B Marsen, K Sattler

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 232 KB

english, 1999

18

Dye-induced spectral narrowing of stimulated scattering in CS2

Ricardo R.B Correia, Petrus Alcantara Jr., Silvio L.S Cunha

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 118 KB

english, 1999

19

Sum frequency generation by water on supercooled H2SO4/H2O liquid solutions at stratospheric temperature

Cheryl Schnitzer, Steve Baldelli, Mary Jane Shultz

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 145 KB

english, 1999

20

Residual dipolar couplings in MAS and MQMAS NMR spectra of quadrupolar nuclei

Gang Wu, Kazuhiko Yamada

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 127 KB

english, 1999

21

Mass analysis of high-Rydberg fragments produced by electron impact on ethane by use of a pulsed-field-ionization technique

Kenji Furuya, Kaname Ishikawa, Akihiro Matsuo, Teiichiro Ogawa

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 131 KB

english, 1999

22

The polaron and bipolaron contributions to the electronic structure of polypyrrole films

G. Appel, O. Böhme, R. Mikalo, D. Schmeißer

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 123 KB

english, 1999

23

Triplet exciton generation and decay in a red polydiacetylene studied by femtosecond spectroscopy

G Lanzani, S Stagira, G Cerullo, S De Silvestri, D Comoretto, I Moggio, C Cuniberti, G.F Musso, G Dellepiane

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 199 KB

english, 1999

24

Atomic-scale chemistry: Desorption of ammonia from Cu(111) induced by tunneling electrons

L Bartels, M Wolf, T Klamroth, P Saalfrank, A Kühnle, G Meyer, K.-H Rieder

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 337 KB

english, 1999

25

Statistics of energy levels in the quantum treatment of an elementary reaction

Gaia Grossi, Leonardo Peroncelli, Naseem Rahman

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 308 KB

english, 1999

26

Theoretical study of the insertion reaction of zinc, cadmium, and mercury atoms with methane and silane

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 114 KB

english, 1999

27

Timescale of isomerization reactions and isotropic inflation model of basin boundaries in cluster dynamics

Tomohiro Yanao, Kazuo Takatsuka

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 112 KB

english, 1999

28

The estimation of molecular properties using momentum–space wavefunctions

Errol F. McCoy, Matthew J. Sykes

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 133 KB

english, 1999

29

Hydrogen bonding pattern in N-benzoyl(-dl-)-l-phenylalanines as revealed by solid-state NMR spectroscopy

M.J Potrzebowski, C Schneider, P Tekely

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 201 KB

english, 1999

30

Computational studies of the geometric and electronic structures of BF3+, AlF3+, CF32+ and SiF32+

Nikolas Kaltsoyannis, Stephen D. Price

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 79 KB

english, 1999

31

Structure and dynamics of methyl groups in the deuterated microporous organic–inorganic hybrid, aluminium methylphosphonate-β

V.J Carter, J.P Kujanpää, F.G Riddell, P.A Wright, J.F.C Turner, C.R.A Catlow, K.S Knight

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 239 KB

english, 1999

32

Well-ordered structure of N-octadecanoyl-l-alanine Langmuir–Blodgett film studied by FTIR spectroscopy

Xuezhong Du, Yingqiu Liang

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 138 KB

english, 1999

33

Equilibrium structure of SiF4

Jürgen Breidung, Jean Demaison, Laurent Margulès, Walter Thiel

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 77 KB

english, 1999

34

An extensive ab-initio study of the C+NH2 and N+CH2 reactions in relation to the HCN/HNC space abundance ratios

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 114 KB

english, 1999

35

The mapped Fourier method for scattering problems

M. Nest, U. Kleinekathöfer, M. Schreiber, P. Saalfrank

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 101 KB

english, 1999

36

Insight into the mechanism of sidewall functionalization of single-walled nanotubes: an STM study

K.F. Kelly, I.W. Chiang, E.T. Mickelson, R.H. Hauge, J.L. Margrave, X. Wang, G.E. Scuseria, C. Radloff, N.J. Halas

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 467 KB

english, 1999

37

Low-temperature adsorption of CO on Cu(111) studied by reflection absorption infrared spectroscopy

J.K Eve, E.M McCash

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 227 KB

english, 1999

38

Quantum-mechanical calculation of the thermal rate constant for the H2+Cl→H+HCl reaction

Uwe Manthe, Wensheng Bian, Hans-Joachim Werner

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 130 KB

english, 1999

39

Zero kinetic energy spectroscopy of AlNH3 complex

Dong-Sheng Yang, Jun Miyawaki

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 96 KB

english, 1999

40

Growth mechanism of C28 (Td) fullerene: energetics and transition-state structures analysis

Rama K. Mishra, Ying-Ting Lin, Shyi-Long Lee

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 175 KB

english, 1999

41

Research on the model reactions of ClONO2 with HCl on water clusters

Si Chuan Xu, Rui Guo, Sheng Long Wang

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 276 KB

english, 1999

42

Kinetics of the reaction of CH3O2 radicals with NO2

T.J. Wallington, O.J. Nielsen, K. Sehested

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 155 KB

english, 1999

43

Scaling of the second hyperpolarisabilities of conjugated carbon systems: polyynes versus polyenes and fullerenes

Wybren Jan Buma, Marianna Fanti, Francesco Zerbetto

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 75 KB

english, 1999

44

Theoretical study of Si3H3+ and Ge3H3+ isomers

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 140 KB

english, 1999

45

Efficiency of the MO method using a Slater-type basis set and non-local density functional formalism for describing DNA base stacking energy

Noriyuki Kurita, Masahiro Araki, Kenji Nakao, Kinya Kobayashi

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 200 KB

english, 1999

46

Photophysical characteristics of two model antenna systems: a fucoxanthin–pyropheoporbide dyad and its peridinin analogue

Atsuhiro Osuka, T Kume, G.W Haggquist, T Jávorfi, João Carlos Lima, Eurico Melo, K Razi Naqvi

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 180 KB

english, 1999

47

Neutral mixed-valence organic monoradicals

André Rassat, Giuseppe Del Re, Andrea Peluso

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 97 KB

english, 1999