Journal of Chemical Physics, 1999, V 110, N 8, 22 Feb.

TE Infrared spectrum of matrix isolated ClSiO and ab initio
   calculations
AU Markus Junker and Hansgeorg Schnockel

TE Monte Carlo simulation of F{^-}(H{_2}O){_4} using an ab initio
   potential
AU Simon J.Vaughn, Elena V.Akhmatskaya, Mark A.Vincent,
   Andrew J.Masters, and Ian H.Hillier

TE On the physical interpretation of torsion-rotation parameters in
   methanol and acetaldehyde: Comparison of global fit and ab
   initio results
AU Li-Hong Xu, Ronald M.Lees, and Jon T.Hougen

TE Erratum: Ab initio calculation of molecular energies including
   parity violating interactions [J. Chem. Phys. 109, 7263 (1998)]
AU Ayaz Kakasov, Tae-Kyu Ha, and Martin Quack

TE On the Feynman path centroid density for Bose-Einstein and
   Fermi-Dirac statistics
AU Pierre-Nicholas Roy and Gregory A.Voth

TE Application of a general classical variational theory to the
   F+H{_2} --> FH + H reaction
AU Irina Rutenburg and Gerald W.Koeppl

TE Intriguing kinetics for chlorine etching of the Si(100) - (2x1)
   surface
AU Z.Dohnalek, H.Nishino, N.Kamoshida, and J.T.Yates, Jr.

TE Energy resolved collision induced dissociation of Al{_n}{^+}
   clusters (n=2-11) in the center of mass energy range from 100
   meV to 10 eV
AU Oddur Ingolfsson, Harutoshi Takeo, and Shinji Nonose

TE Atomic nitrogen on steps. A fast XPS study of the NO uptake on
   Rh(533), Rh(311) and Rh(111)
AU F.Esch, A.Baraldi, G.Comelli, S.Lizzit, M.Kiskinova, P.D.Cobden,
   and B.E.Nieuwenhuys

TE Intermolecular multiple-quantum coherence transfer echoes and
   multiple echoes in NMR
AU Rainer Kimmich and Ioan Ardelean

TE Quantitative characterization of the (D{_2}O){_3} torsional
   manifold by terahertz laser spectroscopy and theoretical
   analysis
AU Mark R.Viant, Mac G.Brown, Jeff D.Cruzan, Richard J.Saykally,
   Michel Geleijns, and Ad van der Avoird

TE A local understanding of the quantum chemical geometric phase
   theorem in terms of diabatic states
AU Gregory J.Atchity and Klaus Ruedenberg

TE Classical trajectory calculations of collision energy dependence
   of total and partial Penning ionization cross sections for
   He*(2{^3}S) + N{_2} --> He + N{_2}{^+} + e{^-}
AU Tetsuji Ogawa and Koichi Ohno

TE Improving the efficiency of the Herman-Kluk propagator by time
   integration
AU Y.Elran and K.G.Kay

TE Rotational spectroscopy and molecular structure of
   {^15}N{_2}-{^14}N{_2}O
AU Helen O.Leung

TE Electron-impact total ionization cross sections of CF{_4},
   C{_2}F{_6} and C{_3}F{_8}
AU H.Nishimura, Winifred M.Huo, M.A.Ali, and Yong-Ki Kim

TE Non-separable transition state theory for non-zero total angular
   momentum: Implications for J-shifting and application to the
   OH+H{_2} reaction
AU Jeol M.Bowman and Heather M.Shnider

TE Quantum/classical time-dependent self-consistent field treatment
   of Ar + HCO inelastic and dissociative scattering
AU Gregory S.Whittier and John C.Light

TE Characterization of the lowest triplet states of linear form
   C{_2n+1} by anion photoelectron spectroscopy
AU Masamichi Kohno, Shinzo Suzuki, Haruo Shiromaru, and Yohji Achiba

TE Discrimination of product isomers in the photodissociation of
   propyne and allene at 193 nm
AU Weizhong Sun, Keiichi Yokoyama, Jason C.Robinson,
   Arthur G.Suits, and Daniel M.Neumark

TE Monte Carlo simulations of nitrogen and hydrogen physisorption
   at high pressures and room temperature. Comparison with
   experiments
AU Farida Darkrim, Jean Vermesse, Pierre Malbrunot,
   and Dominique Levesque

TE Linear scaling MP2 theory in the atomic orbital basis for large
   molecular systems
AU Philippe Y.Ayala and Gustavo E.Scuseria

TE Intermolecular potential of carbon dioxide dimer from
   symmetry-adapted perturbation theory
AU Robert Bukowski, Joanna Sadlej, Bogumil Jeziorski,
   Piotr Jankowski, Krzysztof Szalewicz, Stanislaw A.Kucharski,
   Hayes L.Williams, and Betsy M.Rice

TE An ab-initio linear electron correlation functional
AU Vitaly A.Rassolov

TE Ab initio theoretical study of dipole-bound anions of molecular
   complexes. Water pentamer anions
AU Dayle M.A.Smith, Johan Smets, and Ludwik Adamowicz

TE Anharmonic force fields from analytic CCSD(T) second
   derivatives. HOF and F{_2}O
AU Jurgen Breidung, Walter Thiel, Jurgen Gauss, and John F.Stanton

TE Analysis of the molecular density.
AU J.Fernandez Rico, R.Lopez, and G.Ramirez

TE Spin-free relativistic no-pair ab initio core model potentials
   and valence basis sets for the transition metal elements Sc to Hg
AU Frank Rakowitz, Christel M.Marian, Luis Seijo, and Ulf Wahlgren

TE Fluorescence quenching by reversible excitation transfer.
   Application of a hierarchy approach to a pseudo-first order model
AU Wolfgang Naumann

TE Glass transition in hard disc mixtures
AU Robin J.Speedy

TE The parametrization of a thole-type all-atom polarizable water
   model from first principles and its application to the study of
   water clusters (n=2-21) and the phonon spectrum of ice IH
AU Christian J.Burnham, Jichen Li, Sotiris S.Xantheas,
   and Maurice Leslie

TE Conjugated polymer aggregates in solution: Control of interchain
   interactions
AU Thuc-Quyen Nguyen, Vinh Doan, and Benjamin J.Schwartz

TE Determination of orientational distributions from {^2}H NMR data
   by a regularization method
AU J.Winterhalter, D.Maier, D.Grabowski, J.Honerkamp, S.Mueller,
   and C.Schmidt

TE Elastic properties of a diblock copolymer monolayer and their
   relevance to bicontinuous microemulsion
AU M.W.Matsen

TE Thermodynamic analysis of the solvent effect on tautomerization
   of acetylacetone. An ab initio approach
AU Tateki Ishida, Fumio Hirata, and Shigeki Kato

TE Analysis on conformational stability of C-peptide of
   ribonuclease A in water using the reference interaction site
   model theory and Monte Carlo simulated annealing
AU Masahiro Kinoshita, Yuko Okamoto, and Fumio Hirata

TE Fluid transport properties by equilibrium molecular dynamics. I.
   Methodology at extreme fluid states
AU D.K.Dysthe, A.H.Fuchs, and B.Rousseau

TE Fluid transport properties by equilibrium molecular dynamics.
   II. Multicomponent systems
AU D.K.Dysthe, A.H.Fuchs, B.Rousseau, and M.Durandeau

TE Why is there no low-temperature phase transition in NaOH?
AU Paul W.R.Bessonette and Mary Anne White

TE Long time behavior of reversible diffusion-influenced reaction
   perturbed by photolysis: Brownian dynamics simulation
AU Hyojoon Kim, Mino Yang, and Kook Joe Shin

TE Two-dimensional spectroscopy of electric birefringence
   relaxation in frequency domain. Measurement method for
   second-order nonlinear after-effect function
AU Kozo Hosokawa, Takeshi Shimomura, Hiroshi Frusawa,
   Yasuyuki Kimura, Kohzo Ito, and Reinosuke Hayakawa

TE Characteristics of impurity effects in isomorphous crystals and
   anisomorphous mixtures observed by {^14}N NQR
AU J.K.Jung, Y.M.Seo, and S.H.Choh

TE Dynamic density functional theory of fluids
AU Umberto Marini Bettolo Marconi and Pedro Tarazona

TE Clustering and continuum percolation of hard spheres near a hard
   wall. Monte Carlo simulation and connectedness theory
AU Luis A.Pugnaloni and Fernando Vericat

TE Adiabatic bias molecular dynamics. A method to navigate the
   conformational space of complex molecular systems
AU Massimo Marchi and Pietro Ballone

TE Comparison of chemical selectivity and kinetic energy release in
   Si{_(s)} + ICl{_(g)} and H{_(g)} + ICl{_(g)}
AU Kharissia A.Pettus, Temer S.Ahmadi, Eric J.Lanzendorf,
   and Andrew C.Kummel