The Journal of Chemical Physics, 2001, V 115, N 5, 1 August.
TE Nickel clusters: The influence of adsorbed CO on magnetic moments
AU Mark B.Knickelbein
PP 1983-1986
ARTICLES
TE Electron-electron counterbalance density for molecules: Exchange
and correlation effects
AU Elmer Valderrama, Xavier Fradera, and Jesus M.Ugalde
PP 1987-1994
TE Current density functional theory for optical spectra: A
polarization functional
AU P.L.de Boeij, F.Kootstra, J.A.Berger, R.van Leeuwen, and J.G.Snijders
PP 1995-1999
TE Structure of the exact wave function. II. Iterative
configuration interaction method
AU Hiroshi Nakatsuji and Ernest R.Davidson
PP 2000-2006
TE Generalized relativistic effective core potential and
relativistic coupled cluster calculation of the spectroscopic
constants for the HgH molecule and its cation
AU Nikolai S.Mosyagin, Anatoly V.Titov, Ephraim Eliav, and Uzi Kaldor
PP 2007-2013
TE A second-order perturbative correction to the coupled-cluster
singles and doubles method: CCSD(2)
AU Steven R.Gwaltney and Martin Head-Gordon
PP 2014-2021
TE The accuracy of atomization energies from explicitly correlated
coupled-cluster calculations
AU Jozef Noga, Pierre Valiron, and Wim Klopper
PP 2022-2032
TE A local fluctuation theorem
AU Gary Ayton, Denis J.Evans, and Debra J.Searles
PP 2033-2037
TE On the effects of spin-orbit coupling on conical intersection
seams in molecules with an odd number of electrons. I. Locating the seam
AU Spiridoula Matsika and David R.Yarkony
PP 2038-2050
TE Fully ab initio atomization energy of benzene via Weizmann-2 theory
AU Srinivasan Parthiban and Jan M.L.Martin
PP 2051-2054
TE A reduced dimensionality, six-degree-of-freedom, quantum
calculation of the H+CH_{4}-->H_{2}+CH_{3} reaction
AU Dunyou Wang and Joel M.Bowman
PP 2055-2061
TE Ab initio multireference configuration interaction study of the
electronic spectra of carbon chain anions C_{2n+1}^{-} (n=2-5)
AU Zexing Cao, S.D.Peyerimhoff, Fritz Grein, and Qianer Zhang
PP 2062-2068
TE Small He clusters with aromatic molecules
AU U.Even, I.Al-Hroub, and Joshua Jortner
PP 2069-2073
TE A quantum mechanical and quasi-classical trajectory study of the
Cl+H_{2} reaction and its isotopic variants: Dependence of the
integral cross section on the collision energy and reagent rotation
AU F.J.Aoiz, L.Ban~ares, J.F.Castillo, M.Menendez, D.Skouteris, and H.-J.Werner
PP 2074-2081
TE The average bond length in Pd clusters Pd_{n}, n=4-309: A density-functional
case study on the scaling of cluster properties
AU Sven Krueger, Stefan Vent, Folke Noertemann, Markus Staufer,
and Notker Roesch
PP 2082-2087
TE All mode dynamics at the conical intersection of an octa-atomic
molecule: Multi-configuration time-dependent Hartree (MCTDH)
investigation on the butatriene cation
AU Chr.Cattarius, G.A.Worth, H.-D.Meyer, and L.S.Cederbaum
PP 2088-2100
TE Rotational-resolved pulsed field ionization-photoelectron study
of NO^{+}(A' ^{1}Sigma^{-},v^{+}=0-17) in the energy range of 17.70-20.10 eV
AU Y.Song, C.Y.Ng, G.K.Jarvis, and R.A.Dressler
PP 2101-2108
TE Density functional study of structural and electronic properties
of Na_{n}Mg (1