Journal of Chemical Physics, 1999, V 111, N 5, 1 Aug.
TE Classical nuclation theory for the nucleation of the solid phase
of spherical particles with a short-ranged attraction
AU Richard P.Sear
TE Classical mechanics and the spreading of localzed wavepackets in
condensed phase molecular systems
AU Michael F.Herman and David F.Coker
TE On the role of dielectric friction in vibrational energy
relaxation
AU Branka M.Ladanyi and Richard M.Stratt
TE Erratum: Ab initio relativistic effective potentials with spin
orbit operators. VII. Am through element 18
[J. Chem. Phys. 106, 5133 (1997)]
AU Clinton S.Nash, Bruce E.Bursten, and Walter C.Ermler
TE The application of complex absorbing potentials to an invariant
embedding scattering method: II. Applications
AU Fermin Huarte-Larranaga, Xavier Gimenez, Josep M.Lucas,
and Antonio Aguilar
TE Dynamics on statistical samples of potential energy surfaces
AU Keith D.Ball and R.Stephen Berry
TE Calculations of argon broadening and shift for HCO{^+}
rotational lines at 77 K
AU G.Buffa, O.Tarrini, G.Cazzoli, and L.Dore
TE Photodissociation of HBr molecules and clusters: Anisotropy
parameters, branching ratios, and kinetic energy distributions
AU Reinhard Baumfalk, Udo Buck, Christian Frischkorn,
Nils Hendrik Nahler, and Lutz Huwel
TE Rotationally resolved pulsed field ionization photolectron bands
of O{_2}{^+}(X{^2}{PI}{_1/2,3/2g}, v{^+}=0-38) in the energy
range of 12.05-18.15 eV
AU Y.Song, M.Evans, C.Y.Ng, C.-W.Hsu, and G.K.Jarvis
TE Evidence of a perpendicular component in the photodissociation
of BrCN at 213 nm
AU Karen J.Franks, Hongzhi Li, and Wei Kong
TE New empirical rate expression for reactions without a barrier:
Analysis of the reaction of CN with O{_2}
AU Jan P.Hessler
TE Vibrational and rotational collisional relaxation in CO{_2}-Ar
and CO{_2}-He mixtures studied by stimulated Raman-infrared
double resonance
AU A.Deroussiaux and B.Lavorel
TE ArHF vibrational predissociation dynamics using the
diatomics-in-molecule potential energy surface
AU A.A.Buchachenko and N.F.Stepanov, B.L.Grigorenko,
and A.V.Nemukhin
TE Erratum: Resonance raman intensity analysis of dicyano
vinyl-azaadamantane: Mode-specific reorganization energies for
charge-transfer and locally-excited states
[J. Chem. Phys 109, 10958 (1998)]
AU Mark Lilichenko and Anne Myers Kelley
TE Quantum mechanical study of the vibrational relaxaion of
O{_2}{^+} colliding with Kr
AU Mark Craimer, Sergei K.Pogrebnya, and David C.Clary
TE Vibrational spectrum of B{_2}C in argon at 10K
AU C.William Larson and Jose Domingo Presilla-Marquez
TE A quantum mechanical view of molecular alignment and cooling in
seeded supersonic expansions
AU V.Aquilanti, D.Ascenzi, M.de Castro Vitores, F.Pirani,
and D.Cappelletti
TE A comparison of methods for the calculation of NMR chemical
shifts
AU Thomas Gregor, Francesco Mauri, and Roberto Car
TE Ab initio calculation of elastic constants of SiO{_2} Stishovite
and {alpha}-quartz
AU Bengt Holm and Rajeev Ahuja
TE Recursion representation of gradient expansion for free fermion
ground state in one dimension
AU L.Samaj and J.K.Percus
TE Towards standard methods for benchmark quality ab initio
thermochemistry - W1 and W2 theory
AU Jan M.L.Martin and Glenisson de Oliveira
TE Dipole and quadrupole polarization in ionic systems: Ab initio
studies
AU Patrick Jemmer, Mark Wilson, Paul A.Madden, and Patrick W.Fowler
TE Evolution of the electronic structure and properies of neutral
and charged aluminum clusters: A comprehensive analysis
AU B.K.Rao and P.Jena
TE Density functional investigation on the ferromagnetic coupling
of spins in phenylenevinylene-bridged nitroxide radicals:
Monomer and polymer cases
AU Masaki Mitani, Daisuke Yamaki, Yasunori Yoshioka,
and Kizashi Yamaguchi
TE Infinite basis limits in electronic structure theory
AU Patton L.Fast, Maria L.Sanchez, and Donald G.Truhlar
TE Phase behavior of gradient copolymers
AU Aleksij Aksimentiev and Robert Holyst
TE Self-diffusion of an asymmetric diblock copolymer above and
below the order-to-disorder transition temperature
AU Gerald Fleischer, Frank Rittig, Joerg Kaerger,
Christine M.Papadakis, Kell Mortensen, Kristoffer Almdal,
and Petr Stepanek
TE Associating polyelectrolytes: Finite size cluster stabilization
vs. physical gel formation
AU I.I.Potemkin, V.V.Vasilevskaya, and A.R.Khokhlov
TE Phase separation of polymer blend films near patterned surfaces
AU L.Kielhorn and M.Muthukumar
TE Adsorption of polydisperse polymer chains
AU Richard P.Sear
TE The induction period of CaCl{_2} - Na{_2}CO{_3} system: Theory
and experiment
AU Wen-Chen Chien, Clifford Y.Tai, and Jyh-Ping Hsu
TE Liquid vapor equilibria for an ab-initio model for water
AU A.D.Mackie, J.Hernandez-Cobos, and L.F.Vega
TE A lattice model for fluids with directional interactions
AU Grigoriy Aranovich, Paul Donohue, and Marc Donohue
TE Lithium perchlorate ion pairing in a model of amorphous
polyethylene oxide
AU J.W.Halley, Y.Duan, L.A.Curtiss, and A.G.Baboul
TE Liquid-drop formalism and free-energy surfaces in binary
homogeneous nucleation theory
AU Ari Laaksonen, Robert McGraw, and Hanna Vehkamaeki
TE Time-temperature and time-density superposition in the
simulation of rheological properties of polymers
AU Yannick Rouault and Kurt Kremer
TE Non-linear thermal response at the glass transition
AU C.Schick, M.Merzlyakov, and A.Hensel
TE Wetting of a fluid interface by a homopolymer. A system with a
rich prewetting behviour
AU F.A.M.Leermakers, C.Dorrepaal, and N.A.M.Besseling
TE From polypeptide sequences to structures using Monte Carlo
simulations and an optimized potential
AU Philippe Derreumaux
TE Quantum consideration of electron transfer solvent control
AU P.A.Frantsuzov
TE Structure of molten MCl{_3} systems from a polariable ion
simulation model
AU Francis Hutchinson, Adrian J.Rowley, Malcolm K.Walters,
Mark Wilson, Paul A.Madden, Jonathan C.Wasse, and Philip S.Salmon
TE Two-order-parameter description of liquids: I. A general model
of glass transition covering its strong to fragile limit
AU Hajime Tanaka
TE Two-order-parameter description of liquids: II. Criteria for
vitrification and predicions of our model
AU Hajime Tanaka
TE Translational rotational coupling in supercooled liquids:
Heterodyne detected density induced molecular alignment
AU G.Hinze, R.S.Francis, and M.D.Fayer
TE Photoconductivity and singlet oxygen generation in illuminated
polymer in the air atmosphere
AU A.I.Burshtein and O.A.Igoshin
TE Ab initio study of dopant insertion into carbon nanotubes
AU Amir A.Farajian, Kaoru Ohno, Keivan Esfarjani, Yutaka Maruyama,
and Yoshiyuki Kawazoe
TE Screening ionic motion in sodalite cages: A dynamical study
AU F.Filippone and F.A.Gianturco
TE Physical aging by periodic creep and interruped creep experiments
AU Kevin M.Bernatz, Lily Giri, Sindee L.Simon, and Donald J.Plazek
TE Electron-lattice dynamics on Jahn-Teller surfaces in Ag:Xe
crystals
AU K.Bammel, P.Dietrich, and N.Schwentner
TE Empirical Jahn-Teller potential surfaces for silver doped xenon
matrices
AU P.Dietrich and N.Schwentner
TE Lateral interactions in coadsorbate layers: Vibraional frequency
shifts
AU R.L.C.Wang, H.J.Kreuzer, P.Jakob, and D.Menzel
TE A consistent correlation approach to single file diffusion with
reaction
AU Miles S.Okino, Randall Q.Snurr, Harold H.Kung, Joshua Ochs,
and Michael L.Mavrovouniotis
TE Simplified model for the analysis of interaction types in
two-stranded coiled-coils
AU Maria M.Gil, Ana M.Rubio, and Antonio Rey
TE A simulation study of the kinetics of passage of CO{_2} and
N{_2} through the liquid/vapour interface of water
AU T.Somasundaram, M.in het Panhuis, R.M.Lynden-Bell,
and C.H.Patterson
TE Etching process of SiO{_2} by HF molecules
AU T.Hoshino and Y.Nishioka
TE Modeling of zeolite L crystallization using coninuum time Monte
Carlo simulations
AU Vladimiros Nikolakis, Dionisios G.Vlachos, and Michael Tsapatsis
TE Interaction of gaseous D atoms with alkyl halides adsorbed on
Pt(111), H/Pt(111), and C/Pt(111) suraces: Hot-atom and
Eley-Rideal reactions. I. Methyl bromide
AU S.Wehner and J.Kuppers
TE Interaction of gaseous D atoms with alkyl halides adsorbed on
Pt(111), H/Pt(111), and C/Pt(111) suraces: Hot-atom and
Eley-Rideal reactions. II. Ethyl iodide
AU S.Wehner and J.Kuppers
TE Interaction of gaseous D atoms with alkyl halides adsorbed on
Pt(111), H/Pt(111), and C/Pt(111) suraces: Hot-atom and
Eley-Rideal reactions. III. Isopropyl iodide
AU S.Wehner and J.Kuppers