Chemical Physics Letters, 2000, V324, N 1-3, 30 June.
N. Daugey et al.
CN(A2[Pi]i[->]X2[Sigma]+) chemiluminescence from the N+C2N,
N+CCl, and N+C2 reactions under low-pressure fast-flow conditions
1-6
T. Saraidarov, E. Axelrod, Yu. Feldman and R. Reisfeld
Dielectric behavior and percolation phenomena in porous
silica gels
7-14
D.S. English, A. Furube and P.F. Barbara
Single-molecule spectroscopy in oxygen-depleted polymer films
15-19
Yufeng Wei, Dong-Kuk Lee and A. Ramamoorthy
One-dimensional dipolar-shift spectroscopy under magic angle
spinning to determine the chemical-shift anisotropy tensors
20-24
G. Somasundaram and A. Ramalingam
Gain studies of Coumarin 490 dye-doped polymer laser
25-30
Juergen Guenther, Dieter Krankowsky and Konrad Mauersberger
Third-body dependence of rate coefficients for ozone
formation in 16O-18O mixtures
31-36
W. Bietsch, J. Bao, J. Lüdecke and S. van Smaalen
Jahn-Teller distortion and merohedral disorder of C60[-]ˇ as
observed by ESR
37-42
Mookandi Kanthimathi, Aruna Dhathathreyan and
Balachandran Unni Nair
Langmuir-Blodgett film properties of a donor-acceptor Schiff
base
43-47
M.A. Payne, A.P. Milce, M.J. Frost and B.J. Orr
Symmetry-breaking collisional energy transfer in the 4[nu]CH
rovibrational manifold of acetylene: spectroscopic evidence
of a quasi-continuum of background states
48-56
Michael Maus and Wolfgang Rettig
Electronic relaxations in donor-acceptor biphenyls
57-63
Dmitry Bedrov, Grant D. Smith and Thomas D. Sewell
Thermal conductivity of liquid
octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) from
molecular dynamics simulations
64-68
T.N. Rudakov and V.T. Mikhaltsevich
Steady-state free-precession in nitrogen-14 quadrupolar
spin-system with axially symmetric electric field gradient
tensor
69-74
Abderrazzak Douhal, Miquel Moreno and José Maria Lluch
On the theoretical reports on 7-azaindole base-pair
phototautomerization
75-80
Abderrazzak Douhal, Miquel Moreno and José Maria Lluch
On the experimental evidences for 7-azaindole base-pair model
ultrafast phototautomerization
81-87
E. Martínez-Núńez, A. Peńa-Gallego, R. Rodríguez-Fernández and
S.A. Vázquez
Direct dynamics simulation of the methanethiol cation
decomposition
88-94
O.J. Rolinski, D.J.S. Birch, L.J. McCartney and J.C. Pickup
A method of determining donor-acceptor distribution functions
in Förster resonance energy transfer
95-100
Roi Baer
Ab-initio molecular deformation barriers using
auxiliary-field quantum Monte Carlo with application to the
inversion barrier of water
101-107
Ch. Chang, A.B.C. Patzer, E. Sedlmayr, T. Steinke and D. Sülzle
Electronic structure investigation of the Al4O4 molecule
108-114
Andrzej Szymoszek and Aleksander Koll
Molecular dynamics study of biphenyl and
3,5,3´,5´-tetrafluorobiphenyl in CCl4 solution
115-121
Shi Ying Lin, Ke Li Han and John Z.H. Zhang
Accurate quantum-mechanical calculation for O(1D)+DCl
reaction
122-126
Ahmed Dkhissi, Ludwik Adamowicz and Guido Maes
Hybrid density functionals and ab initio studies of
2-pyridone-H2O and 2-pyridone-(H2O)2
127-136
C. Ashman, S.N. Khanna and M.R. Pederson
Reactivity of AlnC clusters with oxygen: search for
new magic clusters
137-142
Ju-Guang Han
A computational study on electronic structures of GenF[-] and
GenF (n=3-6) clusters by density functional theory
143-148
Phillip L. Geissler, Troy Van Voorhis and Christoph Dellago
Potential energy landscape for proton transfer in (H2O)3H+:
comparison of density functional theory and
wavefunction-based methods
149-155
H. Anane, A. Jarid, A. Boutalib, I. Nebot-Gil and F. Tomás
G2(MP2) molecular orbital study of the substituent effect in
the H3BPH3[-]nFn (n=0-3) donor-acceptor complexes
156-160
Grzegorz Mazur and Piotr Petelenz
Charge transfer excitons in perylenetetracarboxylic
dianhydride - microelectrostatic calculations
161-165
Jozef Noga and Pierre Valiron
Explicitly correlated R12 coupled cluster calculations for
open shell systems
166-174
Xuming Zheng and David Lee Phillips
Solvation effects on the iodoform ultraviolet direct
photodissociation reaction: opening the photoisomerization
channel
175-182
Myongho Jeong and Younghi Kwon
The molecular structure and conformation of
tetrabromoformaldazine: ab initio and DFT calculations
183-188
B. Rousseau, A. Peeters and C. Van Alsenoy
Systematic study of the parameters determining stockholder
charges
189-194
Max Mühlhäuser, George E. Froudakis, Michael Hanrath and Sigrid D.
Peyerimhoff
The electronic spectrum of linear and rhombic C4
195-200
Jacek Koput
The equilibrium structure and relative energy of cis- and
trans-hydroxysilylene, HSiOH
201-205
Nicholas J. Wright, R. Benny Gerber and David J. Tozer
Direct calculation of anharmonic vibrational states of
polyatomic molecules using density functional theory:
spectroscopic tests of recently developed functionals
206-212
Douglas B. Mawhinney et al.
Surface defect site density on single walled carbon nanotubes
by titration
213-216
Randall L. Vander Wal
Flame synthesis of substrate-supported metal-catalyzed carbon
nanotubes
217-223
K. Hirahara, K. Suenaga, S. Bandow and S. Iijima
Boron-catalyzed multi-walled carbon nanotube growth with the
reduced number of layers by laser ablation
224-230