Chemical Physics Letters, 2004, V 395, N 4-6, 11 September.
1.
Observation of the spin-crossover in [Fe(btr)2(NCS)2]; H2O
(btr = 4,4;-bis-1,2,4-triazole) with;SR ;
O. Roubeau, P.C.M. Gubbens, D. Visser, M. Blaauw,
P. Dalmas de Réotier, A. Yaouanc, J.G. Haasnoot,
J. Reedijk, S. Sakarya, U.A. Jayasooriya et al.
Pages 177-181
2.
On the stability of HKrOH: a theoretical study ;
Galina M. Chaban
Pages 182-185
3.
Second harmonic generation of p-nitroaniline
incorporated on zeolites: relative efficiencies
depending on zeolite structure and film orientation ;
Jose; Raul Herance, Debashis Das, Jordi Marquet,
Jose; Luis Bourdelande and Hermenegildo García
Pages 186-189
4.
Improving on the resolution of the identity
in linear R12 ab initio theories ;
Edward F. Valeev
Pages 190-195
5.
Thermal dependence of the permittivity
alkanols of the same chain length ;
A. Catenaccio and C. Magallanes
Pages 196-198
6.
Counterion-driven spontaneous polymerization
of the linear chains in the fcc fullerides
and its magic number behavior ;
Jing Lu, Shigeru Nagase, Shuang Zhang and Lianmao Peng
Pages 199-204
7.
Understanding the conformational behavior of
b1;-haloacetaldehydes: orbital interactions
versus steric repulsion ;
Rodrigo M. Pontes, Barbara C. Fiorin and
Ernani A. Basso
Pages 205-209
8.
Representing high-dimensional potential-energy
surfaces for reactions at surfaces by neural networks ;
Sönke Lorenz, Axel Groß
and Matthias Scheffler
Pages 210-215
9.
Hierarchical approach based on stochastic
decoupling to dissipative systems ;
Yun-an Yan, Fan Yang, Yu Liu and Jiushu Shao
Pages 216-221
10.
Evidence of electron-transfer in the SERS
spectra of a single iron-protoporphyrin IX molecule ;
Anna Rita Bizzarri and Salvatore Cannistraro
Pages 222-226
11.
Natural orbitals as substitutes for optimized
orbitals in complete active space wavefunctions ;
Micah L. Abrams and C. David Sherrill
Pages 227-232
12.
Solvation structure of glucosamine in aqueous
solution as studied by Monte Carlo simulation
using ab initio fitted potential ;
Krisana Siraleartmukul, Khatcharin Siriwong,
Tawun Remsungnen, Nongnuj Muangsin,
Werasak Udomkichdecha and Supot Hannongbua
Pages 233-238
13.
The low-lying electronic states of PCl ;
Artur G. da Silva-Neto, Orlando Roberto-Neto,
Fernando R. Ornellas and Francisco B.C. Machado
Pages 239-245
14.
Non-vibrational features in NIR FT-Raman
spectra of lanthanide sesquioxides ;
Tomislav Biljan, Sanda Ronevi;, Zlatko Mei;
and Kristina Kovač
Pages 246-252
15.
Evaluation of the use of photoelectron
imaging in obtaining photoelectron spectra
and angular distributions: comparison with
the field-free time-of-flight method ;
Susan M. Bellm and Katharine L. Reid
Pages 253-258
16.
The structure and thermal stability of
TiO2 grown by the plasma oxidation of
sputtered metallic Ti thin films ;
Gang He, Qi Fang, Liqiang Zhu, Mao Liu
and Lide Zhang
Pages 259-263
17.
Geminate recombination dynamics studied
via electron reexcitation: kinetic analysis
for anion CTTS photosystems ;
Ilya A. Shkrob
Pages 264-268
18.
Remarkable solvent effects on first
hyperpolarizabilities of zwitterionic
merocyanine dyes: ab initio TD-DFT/PCM approach ;
Paresh Chandra Ray
Pages 269-273
19.
Size-scaling of the polarizability of tubular
fullerenes investigated with time-dependent
(current)-density-functional theory ;
M. van Faassen, L. Jensen, J.A. Berger and P.L. de Boeij
Pages 274-278
20.
Finding optimum compositions of catalysts
using ab initio calculations and data mining ;
Yasuharu Okamoto
Pages 279-284
21.
Combustion synthesis and luminescence properties
of nanocrystalline monoclinic SrAl2O4:Eu2+ ;
Zuoling Fu, Shihong Zhou, Yingning Yu
and Siyuan Zhang
Pages 285-289
22.
Direct evaluation of the density of states
of simple metal clusters via forced oscillator
method (FOM): a preliminary report ;
R. Conte, G.P. Arrighini and C. Guidotti
Pages 290-295
23.
Formation and kinetics study of cuprous oxide
nanodots on LaAlO3 (0 0 1);
Haitao Zhang, Duane M. Goodner, Michael J. Bedzyk,
Tobin J. Marks and Robert P.H. Chang
Pages 296-301
24.
Synthesis of tellurium nanorods via spontaneous
oxidation of NaHTe at room temperature ;
Rongbo Zheng, Wenlong Cheng, Erkang Wang and Shaojun Dong
Pages 302-305
25.
Ionic liquids as solvents for near-infrared
emitting lanthanide complexes ;
Kris Driesen, Peter Nockemann and Koen Binnemans
Pages 306-310
26.
Angular anisotropy of products in the
photodissociation of propene at 157 nm ;
Shih-Huang Lee and Yuan T. Lee
Pages 311-315
27.
A facile route for high-throughput
formation of single-crystal;-Fe2O3
nanodisks in aqueous solutions of
Tween 80 and triblock copolymer ;
Deliang Chen and Lian Gao
Pages 316-320
28.
Singlet exciton interactions in solid films of Alq3 ;
Jakub M;17c;yk, Jan Kalinowski,
Francesco Meinardi and Riccardo Tubino
Pages 321-326
29.
Parametric perspective on highly excited states:
case studies of CHBrClF and C2H2 ;
Aravindan Semparithi and Srihari Keshavamurthy
Pages 327-334
30.
Making the core of a mesogenic p bulkier
could enhance mesophase stability ;
Giorgio Cinacchi
Pages 335-338
31.
Calculation of the tunneling splitting in
the zero-point level and CO-stretch
fundamental of the formic acid dimer ;
Zorka Smedarchina, Antonio Fernandez-Ramos
and Willem Siebrand
Pages 339-345
32.
Direct measurements of the electric-field-induced
change in fluorescence decay profile of pyrene
doped in a polymer film ;
Takakazu Nakabayashi, Takehiro Morikawa
and Nobuhiro Ohta
Pages 346-350
33.
(n = 1;33; m = 2;75) clusters in the gas phase ;
D.M. David Jeba Singh and T. Pradeep
Pages 351-355
34.
Heteronuclear decoupling in rotating solids
via symmetry-based adiabatic RF pulse schemes ;
Kerstin Riedel, Jorg Leppert,
Oliver Ohlenschleger, Matthias Gerlach and
Ramadurai Ramachandran
Pages 356-361
35.
Synthesis and spectral properties of
lutetium-doped CeF3 nanops ;
H. Lian, M. Zhang, J. Liu, Z. Ye, J. Yan and C. Shi
Pages 362-365
36.
Fluorescence quenching of 1-methylaminopyrene
near gold nanops: size regime dependence
of the small metallic ps ;
Sujit Kumar Ghosh, Anjali Pal, Subrata Kundu,
Sudip Nath and Tarasankar Pal
Pages 366-372
37.
Energetic disorder and the B850-exciton
states of individual light-harvesting 2
complexes from Rhodopseudomonas acidophila ;
Clemens Hofmann, Thijs J. Aartsma and Jorgen Kehler
Pages 373-378
38.
Structural phase transition and fluorescence
lifetime of amorphous chalcogenide alloys
doped with rare-earths ;
Yong Gyu Choi, Bong Je Park and Woon Jin Chung
Pages 379-384
39.
Corrigendum to CCSDT study of the
fluoroperoxyl radical, FOO
[Chem. Phys. Lett. 385 (2004) 292;297] ; ERRATUM
Pablo A. Denis and Oscar N. Ventura
Pages 385-386
40.
Corrigendum to Femtosecond observation
of intramolecular charge- and proton-transfer
reactions in a hydroxyflavone derivative;
by A. Douhal et al. [Chem. Phys. Lett. 394
(2004) 54;60] ; ERRATUM
A. Douhal, M. Sanz, M.A. Carranza,
J.A. Organero and L. Santos
Pages 387-387
41.
Erratum to "Rotational quantum state dependent
alternations in the angular momentum polarization
of O2(a1Dg) formed in the UV photodissociation
of O3"; [Chem. Phys. Lett. 393 (2004) 425;431] ;
Gus Hancock, Paul J. Pearson, Grant A.D.
Ritchie and Daniel F. Tibbetts
Pages 388-388
42.
Author index ;
Pages 389-395
43.
Editorial board
Page CO2