The Journal of Chemical Physics, 2000, V 113, N 18, 8 November.
TE Pinning of size-selected Ag clusters on graphite surfaces
AU S.J.Carroll, S.Pratontep, M.Streun, R.E.Palmer, S.Hobday,and R.Smith
PP 7723-7727
TE Crossed-beam velocity map imaging of collisional autoionization
processes
AU Ralph F.Delmdahl, Bernard L.G.Bakker, and David H.Parker
PP 7728-7730
TE A new complete basis set model (CBS-QB3) study on the possible
intermediates in chemiluminescence
AU Yong Zhang, Xi-Rui Zeng, and Xiao-Zeng You
PP 7731-7734
ARTICLES
TE Two interacting electrons in a box: An exact diagonalization study
AU Ali Alavi
PP 7735-7745
TE Two-dimensional vibrational spectroscopy. VII. Investigation of
the vibronic and vibrational couplings by using novel triply
resonant two-dimensional vibrational spectroscopies
AU Minhaeng Cho
PP 7746-7755
TE From molecules to solids with the DMol^{3} approach
AU B.Delley
PP 7756-7764
TE Triplet excitation energies in the coupled cluster singles and
doubles model using an explicit triplet spin coupled excitation space
AU Kasper Hald, Christof Haettig, and Poul Jorgensen
PP 7765-7772
TE On the performance of diagrammatic complete active space
perturbation theory
AU Yoong-Kee Choe, James P.Finley, Haruyuki Nakano, and Kimihiko Hirao
PP 7773-7778
TE An efficient finite field approach for calculating static
electric polarizabilities of periodic systems
AU Konstantin N.Kudin and Gustavo E.Scuseria
PP 7779-7785
TE The higher-order Douglas-Kroll transformation
AU Takahito Nakajima and Kimihiko Hirao
PP 7786-7789
TE Ab initio calculations of molecular resonant photoemission spectra
AU V.Carravetta, H.Agren, O.Vahtras, and H.J.Aa.Jensen
PP 7790-7798
TE Approximating the basis set dependence of coupled cluster
calculations: Evaluation of perturbation theory approximations
for stable molecules
AU Thom H.Dunning, Jr.and Kirk A.Peterson
PP 7799-7808
TE Absolute entropies from molecular dynamics simulation trajectories
AU Heiko Schaefer, Alan E.Mark, and Wilfred F.van Gunsteren
PP 7809-7817
TE Rigorous algorithm for the electron repulsion integral over the
generally contracted solid harmonic Gaussian-type orbitals
AU Kazuhiro Ishida
PP 7818-7829
TE Rotational coherence spectroscopy of para-cyclohexylaniline by
stimulated Raman-induced fluorescence depletion and stimulated
emission pumping
AU Andreas Weichert, Christoph Riehn, and Bernhard Brutschy
PP 7830-7837
TE Off-resonant vibrational excitation: Orientational dependence
and spatial control of photofragments
AU Mette Machholm and Niels E.Henriksen
PP 7838-7844
TE Theoretical approach to photochromism of aromatic Schiff bases:
A minimal chromophore salicylidene methylamine
AU Marek Z.Zgierski and Anna Grabowska
PP 7845-7852
TE Electronic excitation spectra of furan and pyrrole: Revisited by
the symmetry adapted cluster-configuration interaction method
AU Jian Wan, Jaroslaw Meller, Masahiko Hada, Masahiro Ehara,
and Hiroshi Nakatsuji
PP 7853-7866
TE A theoretical study of the CuO_{3} species
AU Ke Deng, Jinlong Yang, and Qingshi Zhu
PP 7867-7873
TE Prediction of a weakly bound excited state in the
^{4}He_{2}-^{7}Li molecule
AU A.Delfino, T.Frederico, and Lauro Tomio
PP 7874-7878
TE Double-contact ion-molecule binding: Infrared characterization
of the ionic H bonds to formic acid in the I^{-}-HCOOH complex
AU William H.Robertson, Jude A.Kelley, and Mark A.Johnson
PP 7879-7884
TE The vibrational energy pattern in acetylene (VI): Inter- and
intrapolyad structures
AU B.I.Zhilinskii, M.I.El Idrissi, and M.Herman
PP 7885-7890
TE Microwave spectra, density functional theory calculations and
molecular structure of acetylenemethyldioxorhenium
AU S.G.Kukolich, B.J.Drouin, O.Indris, J.J.Dannemiller, J.P.Zoller,
and W.A.Herrmann
PP 7891-7900
TE Predictions of rotation-vibration effects in time-resolved
photoelectron angular distributions
AU Stuart C.Althorpe and Tamar Seideman
PP 7901-7910
TE On the initial steps in the decomposition of energetic materials
from excited electronic states
AU H.-S.Im and E.R.Bernstein
PP 7911-7918
TE Theoretical study of the electronic states of platinum trimer (Pt_{3})
AU D.Majumdar, Dingguo Dai, and K.Balasubramanian
PP 7919-7927
TE Theoretical study of electronic states of platinum pentamer (Pt_{5})
AU D.Majumdar, Dingguo Dai, and K.Balasubramanian
PP 7928-7938
TE Measurement of the hyperfine structure in low-l, high-n Rydberg
states of ortho H_{2} by millimeter wave spectroscopy
AU A.Osterwalder, R.Seiler, and F.Merkt
PP 7939-7944
TE Ultraviolet/infrared-double resonance spectroscopy and ab initio
calculations on the indole^{+} and indole(H_{2}O)_{1}^{+} cations
AU C.Unterberg, A.Jansen, and M.Gerhards
PP 7945-7954
TE Direct determination of molecular constants from rovibronic
spectra with genetic algorithms
AU J.A.Hageman, R.Wehrens, R.de Gelder, W.Leo Meerts,and L.M.C.Buydens
PP 7955-7962
TE High level ab initio studies on the excited states of HOCO radical
AU Yumin Li and Joseph S.Francisco
PP 7963-7970
TE Explicit core-hole localization and relaxation effects in the
calculation of inner-shell spectrum of C_{2}H_{4}
AU Alexandre B.Rocha and Carlos E.Bielschowsky
PP 7971-7975
TE High level ab initio molecular orbital theory study of the
structure, vibrational spectrum, stability, and low-lying excited
states of HOONO
AU Yumin Li and Joseph S.Francisco
PP 7976-7981
TE Probing the new bond in the vibrationally controlled bimolecular
reaction of O with HOD(4nu_{OH})
AU Joann M.Pfeiffer, Ephraim Woods III, Ricardo B.Metz,
and F.Fleming Crim
PP 7982-7987
TE Pulsed field ionization-photoelectron bands for CO_{2}^{+}(A
^{2}Pi_{u} and B ^{2}Sigma_{u}^{+}) in the energy range of
17.2-19.0 eV: An experimental and theoretical study
AU Jianbo Liu, M.Hochlaf, and C.Y.Ng
PP 7988-7999
TE Vibrationally autoionizing Rydberg clusters: Spectroscopy and
dynamics of pyrazine-Ar and -Xe clusters
AU Asuka Fujii, Yutaka Kitamura, and Naohiko Mikami
PP 8000-8008
TE Coupled-cluster calculations on ferrocene and its protonated
derivatives: Towards the final word on the mechanism of
protonation of ferrocene?
AU Maria J.Mayor-Lopez, Hans P.Luethi, Henrik Koch,
Pierre Y.Morgantini, and Jacques Weber
PP 8009-8014
TE Relativistic and correlated all-electron calculations on the
ground and excited states of AgH and AuH
AU Henryk A.Witek, Takahito Nakijima, and Kimihiko Hirao
PP 8015-8025
TE Reaction cross section for incorporation of ND_{3} into
NH_{4}^{+}(NH_{3})_{n-1} (n=3-9) at very low energy collision
AU Takaaki Orii, Yoshiki Okada, Kazuo Takeuchi, Masahiko Ichihashi,
and Tamotsu Kondow
PP 8026-8035
TE The local structure in liquid methylamine and methylamine-water
mixtures
AU Peter G.Kusalik, Dan Bergman, and Aatto Laaksonen
PP 8036-8046
TE Symmetry breaking and spectra of diphenyloctatetraene in n-alkanes
AU Daniel Walser, Gert Zumofen, and Taras Plakhotnik
PP 8047-8058
TE Methanol-pyridine complexes trapped in argon and nitrogen
matrices: Infrared induced isomerization and theoretical calculations
AU S.Coussan, V.Brenner, J.P.Perchard, and W.Q.Zheng
PP 8059-8069
TE A study of the condensed phases and solid-solid phase transition
in toluene: A Monte Carlo investigation
AU A.V.Anil Kumar, S.Yashonath, and S.L.Chaplot
PP 8070-8079
TE Thermal conductivity of molecular fluids from molecular dynamics
simulations: Application of a new imposed-flux method
AU Dmitry Bedrov and Grant D.Smith
PP 8080-8084
TE Stable stratification alteration in a thermal diffusion cloud chamber
AU N.Schaeffer, F.Utheza, F.Garnier, and G.Lauriat
PP 8085-8092
TE H_{3}O^{+}/Cl^{-} ion-pair formation in high-temperature aqueous solutions
AU A.A.Chialvo, P.T.Cummings, and J.M.Simonson
PP 8093-8100
TE A theoretical study of the electronic spectrum of water
AU Ove Christiansen, Thomas M.Nymand, and Kurt V.Mikkelsen
PP 8101-8112
TE Chirped pulse excitation in condensed phases involving
intramolecular modes studied by double-sided Feynman diagrams
for fast optical dephasing
AU B.D.Fainberg and V.Narbaev
PP 8113-8124
TE Computer simulation studies of aqueous sodium chloride solutions
at 298 K and 683 K
AU S.Koneshan and Jayendran C.Rasaiah
PP 8125-8137
TE Phase transitions of deuterated CO(NH_{2})_{2} under pressure
AU D.Gora and K.Parlinski
PP 8138-8141
TE Free energy of the Lennard-Jones solid
AU Martin A.van der Hoef
PP 8142-8148
TE Calculation of the compressibilities of hard-sphere fluids from
the radial free space distribution function and its application
to sound velocity
AU Byoung Jip Yoon and Young Gie Ohr
PP 8149-8153
TE Transition path sampling of cavitation between molecular scale
solvophobic surfaces
AU Peter G.Bolhuis and David Chandler
PP 8154-8160
TE Reorientational motion of the HS^{-} ions in hydrogensulfides of
alkali metals (NaHS, KHS, RbHS): A quasielastic neutron scattering study
AU F.Haarmann, H.Jacobs, B.Asmussen, C.Noeldeke, G.J.Kearley,
and J.Combet
PP 8161-8167
TE Efficiency of encounter-controlled reaction between diffusing
reactants in a finite lattice
AU John J.Kozak, C.Nicolis, and G.Nicolis
PP 8168-8174
TE The valence band structures of BeO, MgO, and CaO
AU Vladimir A.Sashin, Helen E.Dorsett, Mohammad A.Bolorizadeh, and Michael
J.Ford
PP 8175-8182
TE The architecture of fibronectin at surfaces
AU L.Guemouri, J.Ogier, Z.Zekhnini, and J.J.Ramsden
PP 8183-8186
TE Molecular dynamic simulation of the interaction, at high energy,
between the N_{2} molecule and polyethylene
AU Emmanuel Duffour
PP 8187-8193
TE A comparison of Koehler activation with nucleation for NaCl-H_{2}O
AU Philippe Mirabel, Howard Reiss, and Richard K.Bowles
PP 8194-8199
TE A theory for the deliquescence of small particles
AU Philippe Mirabel, Howard Reiss, and Richard K.Bowles
PP 8200-8205
TE Particle number fluctuations in a membrane channel
AU Sergey M.Bezrukov, Alexander M.Berezhkovskii, Mark A.Pustovoit,
and Attila Szabo
PP 8206-8211
TE Critical analysis of the apoferritin adsorption at solid-liquid
interfaces in the framework of a particular adsorption model
AU Ph.Lavalle, C.Gergely, A.Lustig, and V.Ball
PP 8212-8224
TE Structure, thermodynamics, and transition kinetics of
nonadecylcyclohexane
AU E.B.Sirota, A.B.Herhold, and M.Varma-Nair
PP 8225-8236
TE Theoretical investigation of the initial reaction of the NO
decomposition on the Si (100) (2x1) reconstructed surface
AU Anatoli A.Korkin, Alexander A.Demkov, Noppawan Tanpipat,
and Jan Andzelm
PP 8237-8248
TE The atomic scale origin of wear on mica and its contribution to
friction
AU Susanne Kopta and Miquel Salmeron
PP 8249-8252
TE Spreading of liquids on gel surfaces
AU D.Szabo, S.Akiyoshi, T.Matsunaga, J.P.Gong, Y.Osada, and M.Zrinyi
PP 8253-8259
TE Penetration depth of energetic F atoms from F_{2} dissociation
in
layered rare gas samples
AU M.Dickgieser and N.Schwentner
PP 8260-8265
TE Temperature dependence of the electronic properties of
K_{3}C_{60} and K_{4}C_{60} single-phase films investigated by
means of electron spectroscopies
AU A.Goldoni, L.Sangaletti, S.L.Friedmann, Z.-X.Shen, M.Peloi,
F.Parmigiani, G.Comelli, and G.Paolucci
PP 8266-8275
TE Surface plasmon enhanced substrate mediated photochemistry on
roughened silver
AU Robert T.Kidd, David Lennon, and Stephen R.Meech
PP 8276-8282
TE Helium scattering structure analyses of the chemisorbed hydrogen
phases on Co(101-bar 0)
AU M.Patting, D.Farias, and K.H.Rieder
PP 8283-8289
TE Classical theory of molecule-surface scattering: Application to
C_{2}H_{2} scattering from LiF
AU Hongwei Zhang and J.R.Manson
PP 8290-8299
TE The effect of corrugation on the quantum dynamics of
dissociative and diffractive scattering of H_{2} from Pt(111)
AU E.Pijper, G.J.Kroes, R.A.Olsen, and E.J.Baerends
PP 8300-8312
TE Weak-to-strong penetration transition of macromolecules into a
slit in theta solvent
AU Peter Cifra, Toma[ess with caron] Bleha, Yongmei Wang,
and Iwao Teraoka
PP 8313-8318
TE Sequencing of folding events in Go-type proteins
AU Trinh Xuan Hoang and Marek Cieplak
PP 8319-8328
TE Symmetry and designability for lattice protein models
AU Tairan Wang, Jonathan Miller, Ned S.Wingreen, Chao Tang,
and Ken A.Dill
PP 8329-8336
TE Phase diagrams of polydisperse van der Waals fluids
AU L.Bellier-Castella, H.Xu, and M.Baus
PP 8337-8347
TE The effect of shear flow on morphology and rheology of phase
separating binary mixtures
AU Zhenli Zhang, Hongdong Zhang, and Yuliang Yang
PP 8348-8361
TE Nonmonotonic depletion of phase separation under strong
supercooling
AU I.Hecht and M.Gitterman
PP 8362-8367
TE Concentration-dependent sedimentation of colloidal rods
AU Z.Dogic, A.P.Philipse, S.Fraden, and J.K.G.Dhont
PP 8368-8380
TE On the reliability of mean-field methods in polymer statistical
mechanics
AU Stefan Tsonchev, Rob D.Coalson, Shyh-Shi Chern,
and Anthony Duncan
PP 8381-8389
LETTERS TO THE EDITOR
TE Erratum: "Infrared study of water-benzene mixtures at high
temperatures and pressures in the two- and one-phase regions"
[J. Chem. Phys., v.113, 1942 (2000)]
AU Seiya Furutaka and Shun-ichi Ikawa
PP 8390