Chemical Physics Letters, 1999, V 300, N 1-2, 29 Jan.
Takahito Nakajima, Hiroshi Nakatsuji, Second-order perturbative
approximation to the SAC/SAC-CI method,
pp. 1-8
Koji Hasegawa, Taka-aki Ono, Yorinao Inoue, Masami Kusunoki, Spin-exchange
interactions in the S2-state manganese tetramer in photosynthetic
oxygen-evolving complex deduced from g=2 multiline EPR signal,
pp. 9-19
David E. Skinner, William H. Miller, Application of the semiclassical
initial value representation and its linearized approximation to inelastic
scattering,
pp. 20-26
Y.C. Zhang, L.X. Zhan, Q.G. Zhang, W. Zhu, J.Z.H. Zhang, Quantum wavepacket
calculation for the ion molecule reaction N++H2->NH++H,
pp. 27-32
Kikuo Harigaya, Optical excitations in fractal antenna supermolecules with
conjugated electrons: extended dendrimers, Chemical Physics Letters
pp. 33-36
Hicham Wadi, Laurent Wiesenfeld, A fully geometrical analysis of indirect
reactive scattering,
pp. 37-43
Andrzej A. Jar{e¸}cki, Ernest R. Davidson, Density functional theory
calculations for F-,
pp. 44-52
Leszek Meissner, Ireneusz Grabowski, A coupled-cluster correction to the
multi-reference configuration interaction method, Chemical Physics Letters
(300)1-2 (1999)
pp. 53-60
Sonia Coriani, Poul Jørgensen, Antonio Rizzo, Kenneth Ruud, Jeppe Olsen, Ab
initio determinations of magnetic circular dichroism,
pp. 61-68
Z.-L. Cai, J.P. François, Ab initio study of the lowest 3Σ-, 3Π
and 1Σ+ states of the SiN+ cation,
pp. 69-79
Alessandra Ricca, Accurate D0 value for NF,
pp. 80-84
B. Safi, K. Choho, F. De Proft, P. Geerlings, Theoretical study of the
basicity of alkyl amines in vacuo and in different solvents: a density
functional theory approach,
pp. 85-92
Marc Pavese, Daniel R. Berard, Gregory A. Voth, Ab initio centroid
molecular dynamics: a fully quantum method for condensed-phase dynamics
simulations,
pp. 93-98
Baoshan Wang, Hua Hou, Yueshu Gu, Features of the potential energy surface
for the decomposition of CH3OF,
pp. 99-103
V. Bernshtein, I. Oref, Energy release in benzene--argon cluster
dissociation -- quasiclassical trajectory calculations,
pp. 104-108
Xin Lu, Xin Xu, Nanqin Wang, Qianer Zhang, A quantum chemical study of the
NO/MgO chemisorption system: hybrid B3LYP calculations on NO/(MgO)n
(n=4,6,8) model systems,
pp. 109-117
V. Meleshko, Yu. Morokov, V. Schweigert, Structure of small hydrogenated
silicon clusters: global search of low-energy states,
pp. 118-124
Nayana Vaval, Sourav Pal, Molecular property calculations for excited
states using a multireference coupled-cluster approach,
pp. 125-130
R.F. Gutterres, M. Argollo de Menezes, C.E. Fellows, O. Dulieu, Generalized
simulated annealing method in the analysis of atom--atom interaction,
pp. 131-139
Keisuke Sueki, Kouichi Kikuchi, Kazuhiko Akiyama, Tomomi Sawa, Motomi
Katada, Shizuko Ambe, Fumitoshi Ambe, Hiromichi Nakahara, Formation of
metallofullerenes with higher group elements,
pp. 140-144
Shojun Hino, Kazunori Umishita, Kentaro Iwasaki, Takayuki Miyamae, Masayasu
Inakuma, Hisanori Shinohara, Ultraviolet photoelectron spectra of Sc@C82,
pp. 145-151
Jörg Schäfer, Jürgen Wolfrum, Roland A. Fischer, Harald Sussek, Monitoring
of HyGaNx and Ga in OMCVD of GaN, using molecular beam quadrupole and
REMPI-TOF mass spectrometry,
pp. 152-156
L. Jeloaica, V. Sidis, DFT investigation of the adsorption of atomic
hydrogen on a cluster-model graphite surface,
pp. 157-162
Thomas J. Gannon, Michael Tassotto, Philip R. Watson, Orientation of
molecules at a liquid surface revealed by ion scattering and recoiling
spectroscopy,
pp. 163-168
Bruno Dupuis, Cécile Michaut, Isabelle Jouanin, Jacques Delaire, Philippe
Robin, Patrick Feneyrou, Véronique Dentan, Photoinduced intramolecular
charge-transfer systems based on porphyrin--viologen dyads for optical
limiting,
pp. 169-176
T. Bachels, R. Schäfer, Formation enthalpies of Sn clusters: a calorimetric
investigation,
pp. 177-182
Robert Flammang, Pascal Gerbaux, Ming Wah Wong, Identification of singlet
and triplet SCNO+ cations in the gas phase: theory and experiment,
pp. 183-188
S. Kück, P. Jander, Luminescence from V3+ in tetrahedral oxo-coordination,
pp. 189-194
Leszek Lapinski, Martin Vala, Linear C11 cluster: an isotopic infrared
study,
pp. 195-201
M. Ahlskog, E. Seynaeve, R.J.M. Vullers, C. Van Haesendonck, A. Fonseca, K.
Hernadi, J. B.Nagy, Ring formations from catalytically synthesized carbon
nanotubes,
pp. 202-206
Min-Chul Yoon, Young S. Choi, Sang Kyu Kim, The OH production from the
π--π* transition of acetylacetone,
pp. 207-212
Dick Sandström, Mei Hong, Klaus Schmidt-Rohr, Identification and mobility
of deuterated residues in peptides and proteins by 2H--13C solid-state NMR,
pp. 213-220
M. Sonnleitner, G.J. Schütz, Th. Schmidt, Imaging individual molecules by
two-photon excitation,
pp. 221-226
Christopher D. Ball, Frank C. De Lucia, Direct observation of
Λ-doublet and hyperfine branching ratios for rotationally inelastic
collisions of NO--He at 4.2 K,
pp.227-235
E. Flahaut, A. Govindaraj, A. Peigney, Ch. Laurent, A. Rousset, C.N.R. Rao,
Synthesis of single-walled carbon nanotubes using binary (Fe, Co, Ni) alloy
nanoparticles prepared in situ by the reduction of oxide solid solutions,
pp. 236-242
R.J. Van Zee, W. Weltner Jr., ESR of the P3- radical: establishment of the
electronic ground state,
pp. 243-246
Hongzhi Li, Karen J. Franks, Wei Kong, Photodissociation of ICN in a
brute-force field: detection of the (I* 2P1/2) product,
pp. 247-252
Tomoya Takada, Hitoshi Koizumi, Tsuneki Ichikawa, Intramolecular hydrogen
transfer of excited alkyl radicals in the solid phase,
pp. 253-256
Kenji Komaguchi, Takayuki Kumada, Toshiyuki Takayanagi, Yasuyuki Aratono,
Masaru Shiotani, Tetsuo Miyazaki, H atom--H2 molecule van der Waals
complexes in solid argon matrix by high-resolution ESR spectroscopy,
pp. 257-261
Naoaki Saito, Kazuyoshi Koyama, Mitsumori Tanimoto, The stability of
multiply charged vanadium, niobium and tantalum clusters,
pp. 262-268