Journal of Chemical Physics, 2000, V 113, N 6, 8 August.

TE Application of density functional perturbation theory to pure
fluid liquid-vapor interfaces
AU T.Wadewitz and J.Winkelmann

TE Dissociation of fast N{_2} molecules scattered from different
AU K.Bruning, W.Heiland, T.Schlatholter, I.A.Wojciechowski,
M.B.Medvedeva, and V.Kh.Ferleger

TE Chemical structure of dihydride phase on saturated H-chemisorbed
Si surfaces
AU Satoru Watanabe

TE Trapping-mediated chemisorption of disilane on Si(100)-2x1
AU B.A.Ferguson, C.T.Reeves, D.J.Safarik, and C.B.Mullins

TE Influence of hydrogen on the stability of positively charged
silicon dioxide clusters
AU T.Schenkel, T.Schaltholter, M.W.Newman, G.A.Machicane,
J.W.McDonald, and A.V.Hamza

TE Molecular packing changes of alkanethiols monolayers on Au(111)
under applied pressure
AU E.Barrena, C.Ocal, and M.Salmeron

TE Structure of a model lubricant in a mica slit pore
AU Joan E.Curry

TE Si-H bending modes as a probe of local chemical structure:
Thermal and chemical routes to decomposition of H{_2}O on
AU M.K.Weldon, A.B.Gurevich, B.B.Stefanov, K.T.Queeney, Y.J.Chabal,
and Krishnan Raghavachari

TE An experimental study of poly(9,9-dioctyl-fluorene) and its
interfaces with Li, Al and LiF
AU G.Greczynski, M.Fahlman, and W.R.Salaneck

TE AFM study of oscillatory surface roughening in anodic
dissolution of sputter-deposited nickel films
AU M.Saitou, A.Makabe, and T.Tomoyose

TE The dynamics of supercritical water: A quasi elastic incoherent
neutron scattering study
AU T.Tassaing and M.-C.Bellissent-Funel

TE Phase behavior of end-functionalized polymers confined between
two surfaces
AU Dmitri V.Kuznetsov and Anna C.Balazs

TE Efficient viscosity estimation from molecular dynamics
simulation via momentum impulse relaxation
AU Gaurav Arya, Edward J.Maginn, and Hsueh-Chia Chang

TE Biased Monte Carlo optimization of protein sequences
AU Adrian P.Cootes, Paul M.G.Curmi, and Andrew E.Torda

TE Transitioning model potentials to real systems. II: Application
to molecular oxygen
AU Scott D.Bembenek and Betsy M.Rice

TE Solvation in binary mixtures of dipolar hard sphere solvents:
Theory and simulations
AU M.Morillo, Claus Denk, Francisco Sanchez-Burgos,
and Antonio Sanchez

TE Small angle neutron scattering study on the saltinduced phase
separation of 1-propanol aqueous solution
AU K.Yoshida, M.Misawa, K.Maruyama, M.Imai, and M.Furusaka

TE Structure and discrimination in chiral fluids: A molecular
dynamics and integral equation study
AU N.M.Cann and B.Das

TE Covalent bond force profile and cleavage in a single polymer
AU Lionel Garnier, Bernard Gauthier-Manuel, Eric W.der Vegte,
Jaap Snijders, and Georges Hadziioannou

TE Unified approach to Bloch-Redfield theory and quantum
Fokker-Planck equations
AU YiJing Yan, Feng Shuang, Ruixue Xu, Jixin Cheng, Xin-Qi Li,
Chen Yang, and Houyu Zhang

TE Shear thinning of suspensions of sterically stabilized spheres
studied by Stokesian dynamics simulations
AU H.M.Schaink, P.A.Nommensen, R.J.J.Jongschaap, and J.Mellema

TE Derivation of rate expressions for nonadiabatic proton-coupled
electron transfer reactions in solution
AU Alexander Soudackov and Sharon Hammes-Schiffer

TE Model of hydrophobic attraction in two and three dimensions
AU G.T.Barkema and B.Widom

TE Relations between Rydberg-valence interactions in the O{_2}
AU B.R.Lewis, S.T.Gibson, S.S.Banerjee, and H.Lefebvre-Brion

TE Hydration of cis and transplatin. A pseudopotential treatment in
the frame of a G3-like theory for platinum complexes
AU J.Burda, M.Zeizinger, J.Sponer, and J.Leszczynski

TE Computing forces with quantum Monte Carlo
AU Roland Assaraf and Michel Caffarel

TE Gradients in valence bond theory
AU Fokke Dijkstra and Joop H.van Lenthe

TE Comparison of static polarizabilities of Cu{_n}, Na{_n} and
Li{_n} (n<9) clusters
AU Patrizia Calaminici, Andreas M.Koster, Alberto Vela, and Karl Jug

TE Density functional study of stoichiometric and O-rich titanium
oxygen clusters
AU Tristan Albaret, Fabio Finocchi, and Claudien Noguera

TE {pi}{^*}{^-}o{^*} hyperconjugation mechanism on the rotational
barrier of the methyl group (I): Substituted toluenes in the
ground, excited, and anionic states
AU H.Nakai and M.Kawai

TE The role of vibronic interactions in the electronic properties
of a silicon cluster, (SiH){_8}
AU Takashi Kato, Kazunari Yoshizawa, and Tokio Yamabe

TE Potential energy surfaces related to the thermal decomposition
of ethyl azide: The role of intersystem crossings
AU Juan F.Arenas, Juan I.Marcos, Isabel Lopez Tocon, Juan C.Otero,
and Juan Soto

TE Electronic structure determination of chromium boride cation,
AU Apostolos Kalemos and Aristides Mavridis

TE An efficient method for calculating molecular excitation
energies by time-dependent densityfunctional theory
AU Habbo H.Heinze, Andreas Gorling, and Notker Rosch

TE Reply to the Comment on: Four-component relativistic density
functional calculations of heavy diatomic molecules [J. Chem.
Phys. 112, 3499 (2000)]
AU S.Varga, B.Fricke, H.Nakamatsu, T.Mukoyama, J.Anton, D.Geschke,
A.Heitmann, E.Engel, and T.Bastug

TE Comment on: Four-component relativistic density functional
calculations of heavy diatomic molecules [J. Chem. Phys. 112,
3499 (2000)]
AU Wenjian Liu and Christoph van Wullen

TE Ground state isoconfigurational mixing in the V{_2}, VNb, and
Nb{_2} molecules
AU Ted A.O'Brien, Katrin Albert, and Micahel C.Zerner

TE Second order perturbation corrections to singles and doubles
coupled-cluster methods: General theory and application to the
valence optimized doubles model
AU Steven R.Gwaltney, C.David Sherrill, Martin Head-Gordon,
and Anna I.Krylov

TE Direct observation of the 2{^3}{PI}{_u} state of Rb{_2} in a
pulsed molecular beam: Rotational branch intensity anomalies in
the 2 {^3}{PI}{_u}(1{_u}) - X{^1}{SIGMA}{_g}{^+}(0{_g}{^+}) bands
AU Yonghoon Lee, Youngjee Yoon, Sun Jong Baek, Duck-Lae Joo,
Jae-seok Ryu, and Bongsoo Kim

TE An optical-optical double resonance (OODR) study of the
perturbed O{_2} d3s{sigma}{_g}({^1}{PI}{_g}) Rydberg state
excited via single rotational levels of the
b({^1}{SIGMA}{_g}{^+}) valence state
AU P.O'Keeffe, T.Ridley, K.P.Lawley, R.J.Donovan, H.H.Telle,
D.C.S.Beddows, and A.G.Urena

TE H atom and heavy atom tunneling processes in tropolone
AU Richard L.Redington

TE IR spectra of tropolone (OH) and tropolone(OD)
AU Richard L.Redington, Theresa E.Redington, and Jason M.Montgomery

TE Collisional dependence of polarization spectroscopy with a
picosecond laser
AU Thomas A.Reichardt, Fabio Di Teodoro, Roger L.Farrow,
Sukesh Roy, and Robert P.Lucht

TE Erratum: An energy-based mapping method for identifying the
in-plane orientations of polypeptides and other macromolecules
at crystalline interface [J. Chem. Phys. 112, 5144 (2000)]
AU Yaohua Dai and John Spencer Evans

TE Experimental and theoretical study of the photofragmentation
process: Ar{_3}{^+} + h{nu} --> Ar{_2}{^+} + Ar
AU D.A.Kirkwood, C.A.Woodward, A.Mouhandes, A.J.Stace, A.Bastida,
J.Zuniga, A.Requena, and F.X.Gadea

TE Low-energy electron attachment to fused 1,4-cyclohexadiene rings
by means of electron transmission spectroscopy and exponent
stabilization calculations
AU Marco Venuti and Alberto Modelli

TE Asymptotic behavior of lineshifts in the O-O and O-1 bands of HF
in a bath of argon: Influence of vibration-rotation coupling
AU I.M.Grigoriev, N.N.Filippov, M.V.Tonkov, C.Boulet,
and J.Boissoles

TE Erratum: Polarization around an ion in a dielectic continuum
with truncated electrostatic interactrions [J. Chem. Phys. 110,
10679 (1999)]
AU Nathan A.Baker, Philippe H.Hunenberger, and J.Andrew McCammon

TE Properties of random state manifolds with applications to IVR
AU W.Dietz and S.F.Fischer

TE Photodissociation dynamics of the triiodide anion (I{_3}{^-})
AU Hyeon Choi, Ryan T.Bise, Alexandra A.Hoops, and Daniel M.Neumark

TE Absolute cross section for the formation of Si({^1}S) atoms
following electron impact dissociation of SiH{_4}
AU N.Abramzon, K.E.Martus, and K.Becker

TE Absorption, excitation and resonance Raman spectra of Ce{_2},
Pr{_2} and Nd{_2}
AU Xiaole Shen, Li Fang, Xiaoyu Chen, and John R.Lombardi

TE The structure of O{_3}--CH{_4} and the implications for the O +
CH{_4} precursor-initiated reaction
AU A.R.Hight Walker, G.T.Fraser, R.D.Suenram, and F.J.Lovas

TE Experimental transition dipole moment for the four lowest
{DELTA}v=1 bands of ArH{^+} in the {^1}{SIGMA}{^+} fundamental
AU Nathalie Picque, Guy Guelachvili, and Svatopluk Civis

TE Comparative study of He{_3}, Ne{_3}, and Ar{_3} using
hyperspherical coordinates
AU D.Blume, Chris H.Greene, and B.D.Esry

TE A semiclassical study of the photodissociation dynamics of a
coupled two surface model of HCl{^+} by an intense laser field
in the long-wavelength limit
AU R.Gill, R.Yanagawa, and M.Thachuk