The Journal of Chemical Physics, 2001, V 114, N 5, February 1.
TE Crystal lattice of the cadmium alkanoate monolayer at the
air/water interface investigated by polarization modulation
infrared spectroscopy
AU Yanzhi Ren, Ken-ichi Iimura, and Teiji Kato
PP 1949-1951
TE An exact second-order expression for the density functional
theory correlation potential for molecules
AU Stanislav Ivanov and Rodney J.Bartlett
PP 1952-1955
TE Disclination renormalization of the disjoining pressure between
walls bounding a nematic liquid crystal
AU F.N.Braun
PP 1956-1957
TE Atom scattering from atomic surfactants: Collisions of argon
with a dilute Bi:Ga solution
AU Jason A.Morgan and Gilbert M.Nathanson
PP 1958-1961
TE Ultrafast time-resolved photoluminescence from novel
metal-dendrimer nanocomposites
AU O.Varnavski, R.G.Ispasoiu, L.Balogh, D.Tomalia, and T.Goodson III
PP 1962-1965
TE Mirrorless optical bistability of an ultrathin glassy film built
up of oriented J-aggregates: Effects of two-exciton states and
exciton-exciton annihilation
AU H.Glaeske, V.A.Malyshev, and K.-H.Feller
PP 1966-1969
TE Enhanced electric polarizability in metal C_{60} compounds:
Formation of a sodium droplet on C_{60}
AU Ph.Dugourd, R.Antoine, D.Rayane, I.Compagnon, and M.Broyer
PP 1970-1973
ARTICLES
TE Performance of CCSDT for first row AB/AB^{-} diatomics:
Dissociation energies and electron affinities
AU J.A.Sordo
PP 1974-1980
TE Development of an efficient linear response approach to the
Hilbert space multi-reference coupled-cluster theory
AU K.R.Shamasundar and Sourav Pal
PP 1981-1988
TE Electron-impact vibrational excitation of polyatomic gases:
Exploratory calculations
AU M.Cascella, R.Curik, F.A.Gianturco, and N.Sanna
PP 1989-2000
TE Quantum-classical Liouville description of multidimensional
nonadiabatic molecular dynamics
AU Mark Santer, Uwe Manthe, and Gerhard Stock
PP 2001-2012
TE Improved trial wave functions in quantum Monte Carlo:
Application to acetylene and its dissociation fragments
AU R.N.Barnett, Zhiwei Sun, and W.A.Lester, Jr.
PP 2013-2021
TE New approach to the design of density functionals
AU Angel J.Perez-Jimenez, Federico Moscardo, Juan C.Sancho-Garcia,
Luis Pastor Abia, Emilio San-Fabian, and Jose M.Perez-Jorda
PP 2022-2026
TE Molecular dynamics analog of the reverse Monte Carlo method
AU Gergely Toth and Andras Baranyai
PP 2027-2035
TE Efficiently computing bound-state spectra: A hybrid approach of
the multi-configuration time-dependent Hartree and
filter-diagonalization methods
AU M.H.Beck and H.-D.Meyer
PP 2036-2046
TE Irreducible Brillouin conditions and contracted Schroedinger
equations for n-electron systems. I. The equations satisfied by
the density cumulants
AU Debashis Mukherjee and Werner Kutzelnigg
PP 2047-2061
TE Semiempirical models for image electrostatics. I. Bare external charge
AU Vitaly A.Rassolov, Mark A.Ratner, and John A.Pople
PP 2062-2066
TE The Rys quadrature revisited: A novel formulation for the
efficient computation of electron repulsion integrals over
Gaussian functions
AU Michel Dupuis and Antonio Marquez
PP 2067-2078
TE A strategy for analysis of equilibrium simulations:
Configuration space density estimation, clustering, and visualization
AU Fred A.Hamprecht, Christine Peter, Xavier Daura, Walter Thiel,
and Wilfred F.van Gunsteren
PP 2079-2089
TE Langevin stabilization of molecular dynamics
AU Jesus A.Izaguirre, Daniel P.Catarello, Justin M.Wozniak,
and Robert D.Skeel
PP 2090-2098
TE The Jacobi-Wilson method: A new approach to the description of
polyatomic molecules
AU C.Leforestier, A.Viel, F.Gatti, C.Mun~oz, and C.Iung
PP 2099-2105
TE Ab initio adiabatic dynamics involving excited states combined
with Wigner distribution approach to ultrafast spectroscopy
illustrated on alkali halide clusters
AU Michael Hartmann, Jiri Pittner, and Vlasta Bonacic-Koutecky
PP 2106-2122
TE Ab initio nonadiabatic dynamics involving conical intersection
combined with Wigner distribution approach to ultrafast
spectroscopy illustrated on Na_{3}F_{2} cluster
AU Michael Hartmann, Jiri Pittner, and Vlasta Bonacic-Koutecky
PP 2123-2136
TE Observation of the FeNC molecule by laser fluorescence
excitation spectroscopy
AU Jie Lie and Paul J.Dagdigian
PP 2137-2143
TE Electronic structure of the NaN_{2} and NaC_{2}H_{2} collision
complexes: Experiment and theory
AU R.Goldstein, J.Grosser, O.Hoffmann, V.Schumann, D.Woesner,
M.Jungen, and M.Lehner
PP 2144-2148
TE The reaction N_{2}^{+}+N_{2}-->N_{3}^{+}+N from thermal to 25 eV
AU Paolo Tosi, Wenyun Lu, Davide Bassi, and Riccardo Tarroni
PP 2149-2153
TE The reactions CH_{n}D_{4-n}+OH-->P and CH_{4}+OD-->CH_{3}+HOD as
a test of current direct dynamics computational methods to
determine variational transition-state rate constants. I.
AU Laura Masgrau, Angels Gonzalez-Lafont, and Jose M.Lluch
PP 2154-2165
TE A mass spectrometry study of n-octane: Electron impact
ionization and ion-molecule reactions
AU C.Q.Jiao, C.A.DeJoseph, Jr., and A.Garscadden
PP 2166-2172
TE Gas-phase nuclear magnetic relaxation in ^{129}Xe revisited
AU I.L.Moudrakovski, S.R.Breeze, B.Simard, C.I.Ratcliffe,
J.A.Ripmeester, T.Seideman, J.S.Tse, and G.Santyr
PP 2173-2181
TE The lowest triplet state ^{3}A' of H_{3}^{+}: Global potential
energy surface and vibrational calculations
AU Cristina Sanz, Octavio Roncero, Cesar Tablero, Alfredo Aguado,
and Miguel Paniagua
PP 2182-2191
TE A complete active space self-consistent field multiconfiguration
reference configuration interaction study of the potential
energy curves of the ground and excited states of CCl
AU Yumin Li and Joseph S.Francisco
PP 2192-2196
TE Dynamical quenching of laser-induced dissociations of diatomic
molecules in intense infrared fields: Effects of molecular
rotations and misalignments
AU Hakima Abou-Rachid, T.Tung Nguyen-Dang, and O.Atabek
PP 2197-2207
TE Electronic spectra of the chains HC_{2n}H (n=8-13) in the gas phase
AU Thomas Pino, Hongbin Ding, Felix Guethe, and John P.Maier
PP 2208-2212
TE The effects of the presence of an alkaline atomic cation in a
molecular hydrogen environment
AU M.Barbatti, Ginette Jalbert, and M.A.C.Nascimento
PP 2213-2218
TE An ab initio study of some noble gas monohalides
AU Gerald J.Hoffman and Mitchell Colletto
PP 2219-2227
TE The structure of Ni_{46}, Ni_{47}, and Ni_{48}
AU E.K.Parks, K.P.Kerns, and S.J.Riley
PP 2228-2236
TE Internal dynamics in azetidine: A microwave and ab initio study
AU Juan C.Lopez, Susana Blanco, Alberto Lesarri, and Jose L.Alonso
PP 2237-2250
TE Addition-insertion-elimination reactions of O(^{3}P) with
halogenated iodoalkanes producing HF(v) and HCl(v)
AU Timothy P.Marcy, Jonathan P.Reid, Charles X.W.Qian, and Stephen R.Leone
PP 2251-2258
TE Microscopic relaxation in supercritical and liquid neon
AU A.Cunsolo, G.Pratesi, R.Verbeni, D.Colognesi, C.Masciovecchio,
G.Monaco, G.Ruocco, and F.Sette
PP 2259-2267
TE Solid-solid transitions induced by repulsive interactions
AU P.C.Hemmer, E.Velasco, L.Mederos, G.Navascues, and G.Stell
PP 2268-2275
TE Simulations of ice and liquid water over a range of temperatures
using the fluctuating charge model
AU Steven W.Rick
PP 2276-2283
TE Exact numerical derivatives of the pair-correlation function of
simple liquids using the tangent linear method
AU I.Charpentier and N.Jakse
PP 2284-2292
TE Irreversible bimolecular reactions of Langevin particles
AU D.J.Bicout, A.M.Berezhkovskii, and Attila Szabo
PP 2293-2303
TE Numerical test of the Percus-Yevick approximation for continuum
media of adhesive sphere model at percolation threshold
AU Sang Bub Lee
PP 2304-2311
TE Polarization selectivity in fifth-order electronically
nonresonant Raman scattering from CS_{2}
AU Laura J.Kaufman, David A.Blank, and Graham R.Fleming
PP 2312-2331
TE Structure and molecular ordering extracted from residual dipolar
couplings: A molecular dynamics simulation study
AU Baltzar Stevensson, Andrei V.Komolkin, Dick Sandstroem,
and Arnold Maliniak
PP 2332-2339
TE Instantaneous normal modes analysis of amorphous and supercooled silica
AU Scott D.Bembenek and Brian B.Laird
PP 2340-2344
TE Adsorption and thermal behavior of CO and NO on Pd and Pd
AU M.Hirsimaeki and M.Valden
PP 2345-2354
TE Effect of the basicity of the support on the properties of
deposited metal atoms
AU Nuria Lopez
PP 2355-2361
TE Spectroscopic determination of the melting energy of a gold nanorod
AU S.Link and M.A.El-Sayed
PP 2362-2368
TE Ultrafast relaxation dynamics of neutral soliton pairs in a
quasi-one-dimensional halogen-bridged mixed-valence platinum
complex [Pt(en)_{2}][Pt(en)_{2}Br_{2}](ClO_{4})_{4}
AU Atsushi Sugita, Masahiro Yamashita, and Takayoshi Kobayashi
PP 2369-2376
TE Electric field induced instabilities at liquid/liquid interfaces
AU Zhiqun Lin, Tobias Kerle, Shenda M.Baker, David A.Hoagland,
Erik Schaeffer, Ullrich Steiner, and Thomas P.Russell
PP 2377-2381
TE Ethanol separation from ethanol-water solution by ultrasonic
atomization and its proposed mechanism based on parametric decay
instability of capillary wave
AU Masanori Sato, Kazuo Matsuura, and Toshitaka Fujii
PP 2382-2386
TE Interface profiles in a dimerizing system
AU Travis B.Peery and Glenn T.Evans
PP 2387-2394
TE Ab initio studies of phonons in CaTiO_{3}
AU K.Parlinski, Y.Kawazoe, and Y.Waseda
PP 2395-2400
TE Thermodynamic implications of confinement for a waterlike fluid
AU Thomas M.Truskett, Pablo G.Debenedetti, and Salvatore Torquato
PP 2401-2418
TE Simulations of energy funneling and time- and frequency-gated
fluorescence in dendrimers
AU Jason C.Kirkwood, Christoph Scheurer, Vladimir Chernyak,
and Shaul Mukamel
PP 2419-2429
TE Stretch dynamics of flexible dendritic polymers in solution
AU Parbati Biswas, Rama Kant, and Alexander Blumen
PP 2430-2441
TE Effective interaction between reverse micelles: A study from the
potential of mean force at infinite dilution
AU M.Bouaskarne, S.Amokrane, and C.Regnaut
PP 2442-2451
TE Phase behavior of block copolymer melts with arbitrary architecture
AU A.N.Morozov and J.G.E.M.Fraaije
PP 2452-2465
TE Orientations and phase transitions in liquid crystals consisting
of short linear polymer chains
AU Witold Brostow and Janusz Walasek
PP 2466-2476
TE Phase behavior of a simple model for membrane proteins
AU Massimo G.Noro and Daan Frenkel
PP 2477-2483
TE Prediction of the melting point of n-alkanes using the molecular
dynamics method
AU Y.Tsuchiya, H.Hasegawa, and T.Iwatsubo
PP 2484-2488
TE Conformation-dependent environments in folding proteins
AU Ariel Fernandez
PP 2489-2502
TE Statistical analysis of native contact formation in the folding
of designed model proteins
AU Guido Tiana and Ricardo A.Broglia
PP 2503-2510
LETTERS TO THE EDITOR
TE Sum rules for generalized electron-pair moments
AU Toshikatsu Koga
PP 2511-2512
TE Comment on "Surplus function variational quantum Monte Carlo
approach: Excited state processing" [J. Chem. Phys., v.112, 5257 (2000)]
AU M.G.Marmorino
PP 2513-2514