Chemical Physics Letters, 2000, V 321, N 1-2, 21 April.
Silvia Casassa
Ab initio study of periodic ice surfaces containing HCl
1-7
Jun Kumagai, Tomoyoshi Noda and Tetsuo Miyazaki
An ENDOR study of H atoms in HD solid at 4.2 K
8-12
Philip B. Lukins
Direct observation of semiconduction and photovoltaic
behaviour in single molecules of the Photosystem II reaction
centre
13-20
C. Amiot, J. Vergès, C. Effantin and J. d'Incan
The KRb (2)1[Pi] electronic state
21-24
Sang Kuk Lee and Byoung Uk Ahn
Vibronic emission spectrum of the jet cooled m-fluorobenzyl
radical in the D1[->]D0 transition
25-30
Sonia Melandri, Biagio Velino, Paolo G. Favero, Adele Dell'Erba
and Walther Caminati
Investigation of a van der Waals complex with C1 symmetry:
the free-jet rotational spectrum of 1,2-difluoroethane-Ar
31-36
Johannes P.M. Schelvis and Constantinos A. Varotsis
Picosecond resonance Raman evidence of the structure of a
long-lived electronic excited state of low-spin Fe(III)hemeo
37-42
E.R. deAzevedo, S.B. Kennedy and M. Hong
Determination of slow motions in extensively isotopically
labeled proteins by magic-angle-spinning 13C-detected 15N
exchange NMR
43-48
L.C. Snoek, E.G. Robertson, R.T. Kroemer and J.P. Simons
Conformational landscapes in amino acids: infrared and
ultraviolet ion-dip spectroscopy of phenylalanine in the gas
phase
49-56
M. Spittler, I. Barnes, K.H. Becker and T.J. Wallington
Product study of the C2H5O2+HO2 reaction in 760 Torr of air
at 284-312 K
57-61
Phillip M. Palmer, Yu Chen and Michael R. Topp
Structural differences among methanol clusters (n=1-4)
hydrogen-bonded to Coumarin 151
62-70
Anne B. McCoy
Diffusion quantum Monte Carlo on multiple-potential surfaces
71-77
J.I. Pascual et al.
Seeing molecular orbitals
78-82
Chensheng Lin and Kechen Wu
Theoretical studies on the nonlinear optical susceptibilities
of 3-methoxy-4-hydroxy-benzaldehyde crysta
l83-88
Y.-J. Liu and M.-B. Huang
The asymmetric structure of the n-pentane radical cation: a
theoretical study
89-94
Der-Yan Hwang and Alexander M. Mebel
Theoretical study on the reversible storage of H2 by BeO
95-100
R.Q. Zhang, K.L. Han, R.S. Zhu, C.S. Lee and S.T. Lee
Ab initio/Rice-Ramsperger-Kassel-Marcus approach to carbon
nitride formation: CH3NH2 decomposition
101-105
Toshiyuki Takayanagi, Yuzuru Kurosaki and Keiichi Yokoyama
Ab initio molecular orbital calculations of potential energy
surfaces for the N(4S, 2D, 2P)+H2 reactions
106-112
R.B. Murphy, D.M. Philipp and R.A. Friesner
Frozen orbital QM/MM methods for density functional theory
113-120
Paulo H. Acioli, L.S. Costa and Frederico V. Prudente
Quantum Monte Carlo study of vibrational states of silanone
121-125
S.J. Knak Jensen, J.C. Vank, T.-H. Tang and I.G. Csizmadia
Flip-flops in fluorinated o-cresol
126-128
Patrick E. Fleming
The ionization energy of the diazomethyl radical (HCNN)
129-134
Mirjana Mladenovi[\mbox{\'{c}}] and Marius Lewerenz
Converging multidimensional rovibrational variational
calculations: the dissociation energy of (HF)2
135-141
R. Pandey, B.K. Rao, P. Jena and John M. Newsam
Unique magnetic signature of transition metal atoms supported
on benzene
142-150
Alan Hinchliffe and Humberto J. Soscún Machado
Density functional studies of molecular polarizabilities.
151-155
Susumu Okada and Susumu Saito
Stable polymers of C74 and C78 fullerenes
156-162
P. John Thomas, G.U. Kulkarni and C.N.R. Rao
Effect of size on the Coulomb staircase phenomenon in metal
nanocrystals
163-168
Brian W. Smith and David E. Luzzi
Formation mechanism of fullerene peapods and coaxial tubes: a
path to large scale synthesis
169-174
Pierre N. Floriano et al.
A grazing incidence surface X-ray absorption fine structure
(GIXAFS) study of alkanethiols adsorbed on Au, Ag, and Cu
175-181