The Journal of Chemical Physics, 2001, V 114, N 14, April 8.
TE Effective Hamiltonians in Floquet theory of magic
angle spinning using van Vleck transformation
AU R.Ramesh and Mangala Sunder Krishnan
PP 5967-5973
TE A "fast growth" method of computing free energy differences
AU D.A.Hendrix and C.Jarzynski
PP 5974-5981
TE On the density matrix based approach to time-
dependent density functional response theory
AU Filipp Furche
PP 5982-5992
TE Exploring the idea of self-guided dynamics
AU Ansuman Lahiri, Lennart Nilsson, and Aatto Laaksonen
PP 5993-5999
TE The ab initio model potential method with the spin-free
relativistic scheme by eliminating small components Hamiltonian
AU Kyosuke Motegi, Takahito Nakajima, Kimihiko Hirao, and Luis Seijo
PP 6000-6006
TE Positive definiteness of entropy production in the nonlinear
Robertson formalism
AU R.E.Nettleton
PP 6007-6013
TE Assessment of W1 and W2 theories for the computation of electron
affinities, ionization potentials, heats of formation, and
proton affinities
AU Srinivasan Parthiban and Jan M.L.Martin
PP 6014-6029
TE CH-stretching overtone spectra of a fast rotating methyl group.
I. Toluene C_{6}D_{5}CH_{3}
AU D.Cavagnat and L.Lespade
PP 6030-6040
TE CH-stretching overtone spectra of a fast rotating methyl group.
II. Toluenes C_{6}D_{5}CH_{2}D and C_{6}D_{5}CHD_{2}
AU D.Cavagnat and L.Lespade
PP 6041-6050
TE Theoretical and experimental studies of the dissociation
dynamics of methaniminium cation, CH_{2}NH_{2}^{+}-->CHNH^{+}+H_{2}:
Reaction path bifurcation
AU Tae Hoon Choi, Sang Tae Park, and Myung Soo Kim
PP 6051-6057
TE Determination of an ethane intermolecular potential model for
use in molecular simulations from ab initio calculations
AU Richard L.Rowley, Yan Yang, and Tapani A.Pakkanen
PP 6058-6067
TE Structural and electronic properties of C_{36}
AU G.K.Gueorguiev and J.M.Pacheco
PP 6068-6071
TE Mobilities of NH_{4}^{+}(NH_{3})_{n} clusters in helium from 100
K to 298 K
AU Anthony J.Midey and A.A.Viggiano
PP 6072-6076
TE Analysis of the Na_{2} 2^{3}Sigma_{g}^{+}-->a^{3}Sigma_{u}^{+}
continua: Potentials and transition moment function
AU V.S.Ivanov, V.B.Sovkov, Li Li, A.M.Lyyra, T.J.Whang,
and S.Magnier
PP 6077-6085
TE Ab initio study of the vibronic spectrum in the X ^{2}Pi
electronic state of HCCS
AU M.Peric, C.M.Marian, and S.D.Peyerimhoff
PP 6086-6099
TE Submillimeter wave vibration-rotation spectroscopy of Ar-CO and
Ar-ND_{3}
AU Dmitry G.Melnik, Sandhya Gopalakrishnan, Terry A.Miller,
Frank C.De Lucia, and Sergey Belov
PP 6100-6106
TE Observation of exciplex emission from the mixed dimer of
naphthalene and 2-methoxynaphthalene: A laser-induced
fluorescence study in supersonic jet
AU Aloke Das, K.K.Mahato, and Tapas Chakraborty
PP 6107-6111
TE Kinetics of the reaction of O_{2}^{+} with CH_{4} from 500 to
1400 K: A case for state specific chemistry
AU Itzhak Dotan and A.A.Viggiano
PP 6112-6118
TE Ab initio investigation of the potential energy profiles for the
gas phase CH_{4}+O_{2}^{+}(^{2}Pi_{g}) reaction system
AU Stephan Irle and Keiji Morokuma
PP 6119-6127
TE Photodissociation of acetaldehyde: The CH_{4}+CO channel
AU Benjamin F.Gherman, Richard A.Friesner, Teh-Hwa Wong,
Zhiyuan Min, and Richard Bersohn
PP 6128-6133
TE Infrared spectra of the CO-H_{2}O 1-1 cluster trapped in an
argon matrix
AU Hisashi Abe and Koichi M.T.Yamada
PP 6134-6141
TE Laser induced fluorescence spectroscopy of the A~ ^{3}Pi_{i}<-X~
^{3}Sigma^{-} transition of the CCS radical
AU A.J.Schoeffler, H.Kohguchi, K.Hoshina, Y.Ohshima, and Y.Endo
PP 6142-6150
TE Ground state normal mode analysis: Linking excited state
dynamics and experimental observables
AU Lukas Kurtz, Angelika Hofmann, and Regina de Vivie-Riedle
PP 6151-6159
TE State-to-state rate constants for the rotational relaxation of
CH(B ^{2}Sigma^{-},v=0,J) in inelastic collisions with Ar
AU M.Kind and F.Stuhl
PP 6160-6165
TE Finite element method for two-dimensional vibrational wave
functions: Theory and application to van der Waals molecules
AU Timothy J.Dudley, Rajeev R.Pandey, Philip E.Staffin,
Mark R.Hoffmann, and George C.Schatz
PP 6166-6179
TE Spectroscopy and reactivity of size-selected Mg^{+}-methanol clusters
AU James I.Lee, David C.Sperry, and James M.Farrar
PP 6180-6189
TE Interaction of water and dichlorine in the gas phase: An
investigation of H_{2}O...Cl_{2} by rotational spectroscopy and
ab initio calculations
AU J.B.Davey, A.C.Legon, and J.M.A.Thumwood
PP 6190-6202
TE Temperature dependence of the structure of a 0.06 mole fraction
tertiary butanol-water solution
AU D.T.Bowron, A.K.Soper, and J.L.Finney
PP 6203-6219
TE Nonideality in the composition dependence of viscosity in binary
mixtures
AU Goundla Srinivas, Arnab Mukherjee, and Biman Bagchi
PP 6220-6228
TE Configurational temperature profile in confined fluids. I.Atomic fluid
AU Jerome Delhommelle and Denis J.Evans
PP 6229-6235
TE Configurational temperature profile in confined fluids. II.
Molecular fluids
AU Jerome Delhommelle and Denis J.Evans
PP 6236-6241
TE Modified surface fluctuations by impurity binding in amphiphilic
dispersions
AU Carla Goldman
PP 6242-6248
TE Symmetry breaking effects in NO_{3}^{-}: Raman spectra of
nitrate salts and ab initio resonance Raman spectra of
nitrate-water complexes
AU Mark R.Waterland, David Stockwell, and Anne Myers Kelley
PP 6249-6258
TE Optical properties of peroxy radicals in silica:
Multiconfigurational perturbation theory calculations
AU Carmen Sousa, Coen de Graaf, and Gianfranco Pacchioni
PP 6259-6264
TE Diffusion-controlled reactions: A revisit of Noyes' theory
AU H.Van Beijeren, W.Dong, and L.Bocquet
PP 6265-6275
TE The Enskog theory for transport coefficients of simple fluids
with continuous potentials
AU Kunimasa Miyazaki, Goundla Srinivas, and Biman Bagchi
PP 6276-6285
TE Phase-coherent light scattering spectroscopy. I. General
principle and polarized dynamic light scattering
AU Hajime Tanaka and Shinsaku Takagi
PP 6286-6295
TE Phase-coherent light scattering spectroscopy. II. Depolarized
dynamic light scattering
AU Shinsaku Takagi and Hajime Tanaka
PP 6296-6302
TE Hydrophobicity in a simple model of water: Entropy penalty as a
sum of competing terms via full, angular expansion
AU Kevin A.T.Silverstein, Ken A.Dill, and A.D.J.Haymet
PP 6303-6314
TE Computer simulation of surface and adatom properties of
Lennard-Jones solids: A comparison between face-centered-cubic
and hexagonal-close-packed structures
AU Sweta Somasi, Bamin Khomami, and Ronald Lovett
PP 6315-6326
TE Adsorption of linear hydrocarbons in zeolites: A
density-functional investigation
AU Lubomir Benco, Thomas Demuth, Juergen Hafner, Francois Hutschka,
and Herve Toulhoat
PP 6327-6334
TE Density profile evolution and nonequilibrium effects in partial
and full spreading measurements of surface diffusion
AU P.Nikunen, I.Vattulainen, and T.Ala-Nissila
PP 6335-6342
TE Monte Carlo simulation of polymer brushes attached to a
spherical surface
AU Eva Lindberg and Christer Elvingson
PP 6343-6352
TE Surface reaction of nitrogen with liquid group III metals
AU Z.Romanowski, S.Krukowski, I.Grzegory, and S.Porowski
PP 6353-6363
TE Simulation of material properties below the Debye temperature: A
path-integral molecular dynamics case study of quartz
AU Martin H.Mueser
PP 6364-6370
TE Dynamics of ice layers deposited on MgO(001): Quasielastic
neutron scattering experiments and molecular dynamics simulations
AU C.Toubin, S.Picaud, P.N.M.Hoang, C.Girardet, B.Demirdjian,
D.Ferry, and J.Suzanne
PP 6371-6381
TE CO oxidation on Pt(111)-Scanning tunneling microscopy
experiments and Monte Carlo simulations
AU S.Voelkening and J.Wintterlin
PP 6382-6395
TE Semiclassical treatment of charge transfer in molecule-surface
scattering
AU Christian Bach and Axel Gros
PP 6396-6403
TE Stripping and bulk CO electro-oxidation at the Pt-electrode
interface: Dynamic Monte Carlo simulations
AU Chandra Saravanan, N.M.Markovic, M.Head-Gordon, and P.N.Ross
PP 6404-6412
TE Structural studies of clusters in melt of FeAl compound
AU Li Hui, Ding Feng, Wang Jinlan, Bian Xiufang, and Wang Guanghou
PP 6413-6416
TE Study of dielectric relaxation modes in
poly(epsilon-caprolactone): Molecular weight, water sorption,
and merging effects
AU M.Grimau, E.Laredo, M.C.Perez Y., and A.Bello
PP 6417-6425
TE Cage effect in the viscoelasticity of a suspension of hard
spheres without hydrodynamic interaction
AU B.U.Felderhof
PP 6426-6436
TE The polaron and bipolaron states of poly
AU K.L.Yao, S.E.Han, and L.Zhao
PP 6437-6442
TE Energy landscapes, global optimization and dynamics of the
polyalanine Ac(ala)_{8}NHMe
AU Paul N.Mortenson and David J.Wales
PP 6443-6454
TE Structure formation of a single polymer chain. I. Growth of
trans domains
AU Susumu Fujiwara and Tetsuya Sato
PP 6455-6463
TE Effect of branches on the structure of narrowly confined alkane
fluids: n-hexadecane and 2,6,11,15-tetramethylhexadecane
AU S.T.Cui, P.T.Cummings, and H.D.Cochran
PP 6464-6471
TE Collapse transition of isolated Lennard-Jones chain molecules:
Exact results for short chains
AU Mark P.Taylor
PP 6472-6484
LETTERS TO THE EDITOR
TE Using the symmetric quasiminimal residuals method to accelerate
an inexact spectral transform calculation of energy levels and
wave functions
AU Shi-Wei Huang and Tucker Carrington, Jr.
PP 6485-6486
TE Erratum: "Vibrational predissociation of the ND_{3}-Ar Van der
Waals complex: Comparison with NH_{3}-Ar" [J. Chem. Phys.,
v.106, 9141 (1997)]
AU J.Millan, N.Halberstadt, G.van der Sanden, and A.van der Avoird
PP 6487-6489
TE Erratum: "Potential energy surfaces and dynamics for the
reactions between C(^{3}P) and H_{3}^{+} (^{1}A_{1}')" [J. Chem.
Phys., v.108, 2424 (1998)]
AU Ryan P.A.Bettens and Michael A.Collins
PP 6490