Journal of Chemical Physics, 2000, V 112, N 3, 15 Jan.
TE Rovibrational Hamiltonians for general polyatomic molecules in
spherical polar parametrization: I. Orthogonal representations
AU Mirjana Mladenovic
TE Rovibrational Hamiltonians for general polyatomic molecules in
spehrical polar parametrization: II. Nonorthogonal descriptions
of internal molecular geometry
AU Mirjana Mladenovic
TE Vibronic structure of alkoxy radicals via photolectron
spectroscopy
AU Tanya M.Ramond, Gustavo E.Davico, Rebecca L.Schwartz,
and W.Carl Lineberger
TE Rotational patches---Stark effect, dipole moment, and dynamics
of water loosely bound to benzene
AU T.Emilsson, H.S.Gutowsky, G.de Oliveira, and C.E.Dykstra
TE A quantum model Hamiltonian to treat reactions of the type
X+YCZ{_3} --> XY+CZ{_3}. Application to O({^3}P) + CH{_4} --> OH
+ CH{_3}
AU Juliana Palma and David C.Clary
TE Matrix isolation and spectroscopic characterization of a linear
AlOSi radical
AU Markus Junker, Markus Friesen, and Hansgeorg Schnockel
TE Fast radiofrequency amplitude modulation in multiple-quantum
magic-angle-spinning NMR: Theory and experiments
AU P.K.Madhu, Amir Goldbourt, Lucio Frydman, and Shimon Vega
TE Global potential energy surfaces for the H{_3}{^+} system.
Analytical representation of the adiaatic ground state 1{^1}A'
potential
AU Alfredo Aguado, Octavio Roncero, Cesar Tablero, Cristina Sanz,
and Miguel Paniagua
TE Van der Waals isomers and ionic reactivity of the cluster system
para-chlorofluorobenzene/ methanol
AU C.Riehn, K.Buchhold, B.Reimann, S.Djafari, H.-D.Barth,
B.Brutschy, P.Tarakeshwar, and K.S.Kim
TE Erratum: Effects of local reactant concentration perturbations
in oscillatory catalysis [J. Chem. Phys. 108, 5565 (1998)]
AU C.D.Lund, C.M.Surko, M.B.Maple, and S.Y.Yamamoto
TE Statistical thermodynamics of bond torsional modes
AU Yao-Yuan Chuang and Donald G.Truhlar
TE The vibrational distribution of O{_2}(X{^3}{1/2}{_g}{^-})
prouced in the photodissociation of ozone between 226 and 240
and at 266 nm
AU Joseph D.Geiser, Scott M.Dylewski, Julie A.Mueller,
Ruth J.Wilson, Ralf Toumi, and Paul L.Houston
TE Very high rotational excitation of CO in a cooled electric
discharge through carbon monoxide
AU Claudina Cossart-Magos and Daniel Cossart
TE Anharmonic force field and vibrational frequencies of
tetrafluoromethane (CF{_4}) and tetrafluorosilane (SiF{_4})
AU Xiao-Gang Wang, Edwin L.Sibert, III, and Jan M.L.Martin
TE Six-dimensional calculation of the vibrational specrum of the
HFCO molecule
AU Alexandra Viel and Claude Leforestier
TE On the identification of the vibrational spectrum of cyclic
C{_8} in solid Ar
AU S.L.Wang, C.M.L.Rittby, and W.R.M.Graham
TE Rotationally resolved pulsed field ionization photolectron bands
for O{_2}{^+}(A{^2}{PI}{_u}, v{^+}=0-12) in the energy range of
17.0-18.2 eV
AU Y.Song, M.EVans, C.Y.Ng, C.-W.Hsu, and G.K.Jarvis
TE Water-chain clusters: Vibronic spectra of
7-hydroxyuinoline{^.}(H{_2}O){_2}
AU Andreas Bach, Stephane Coussan,
Andreas Muller and Samuel Leutwyler
TE Tunneling splittings in water trimer by projector Monte Carlo
AU D.Blume and K.B.Whaley
TE Rotational resolved pulsed field ionization photolectron bands
for O{_2}{^+}(a{^4}II{_u,} v{^+}=0-18) in the energy range of
16.0-18.0 eV
AU Y.Song, M.Evans, C.Y.Ng, C.-W.Hsu and G.K.Jarvis
TE Experimental and theoretical study of line mixing in methane
spectra. III. The Q branch of the Raman {nu}{_1} band
AU D.Pieroni, J.-M.Hartmann, F.Chaussard, X.Michaut, T.Gabard,
R.Saint-Loup, H.Berger, and J.-P.Champion
TE Threshold collision-induced dissociation of anionic copper
clusters and copper cluster monocarbonyls
AU Vassil A.Spasov, Taeck-Hong Lee, and Kent M.Ervin
TE The diffraction signatures of individual vibraional modes in
polyatomic molecules
AU Seol Ryu, Peter M.Weber, and Richard M.Stratt
TE Structure and energetics of Si{_n}N{_m} clusters: Growth
pathways in a heterogeneous cluster system
AU Gerd Jungnickel, Thomas Frauenheim, and Koblar Alan Jackson
TE Residual dipolar couplings between quadrupolar nuclei in high
resolution solid state NMR: Description and observations in the
high field limit
AU Sungsool Wi and Lucio Frydman
TE Reactions of C{^+}({^2}P{_u}) with CO({^1}{SIGMA}{^+}) from
thermal energies to 30 eV
AU Wenyun Lu, Paolo Tosi, Mauro Filippi, and Davide Bassi
TE Angle resolved photoelectron spectroscopy of O{_2}
(a{^1}{DELTA}{_g}) with synchrotron radiation
AU L.Beeching, A.DeFanis, J.M.Dyke, S.D.Gamblin, N.Hooper, A.Moris,
and J.B.West
TE Spin relaxation by dipolar coupling: From motional narrowing to
the rigid limit
AU Alexander A.Nevzorov and Jack H.Freed
TE Dipolar relaxation in a many-body system of spins of 1/2
AU Alexander A.Nevzorov and Jack H.Freed
TE Molecular dichotomy within an intense highrequency laser field
AU Nam A.Nguyen and T.-T.Nguyen-Dang
TE Laser spectroscopy of jet-cooled ethyl radical: Infrared studies
in the CH{_2} stretch manifold
AU Scott Davis, Dairene Uy, and David J.Nesbitt
TE Quantized field description of rotor frequencyriven dipolar
recoupling
AU G.J.Boender, S.Vega, awnd H.J.M.de Groot
TE Determining point charge arrays that produce accurate ionic
crystal fields for atomic cluster calculations
AU Stephen E.Derenzo, Mattias K.Klintenberg, and Marvin J.Weber
TE New generalised gradient approximation functionals
AU A.Daniel Boese, Nikos L.Doltsinis, Nicholas C.Handy,
and Michiel Sprk
TE Ab initio determination of americium ionization potentials
AU Jeffrey L.Tilson, Ron Shepard, Conrad Naleway, Albert F.Wagner,
and Walter C.Ermler
TE Ab initio studies of anionic cluster of water pentamer
AU Sudhir A.Kulkarni, Libero J.Bartolotti, and Rajeev K.Pathak
TE The open shell single reference size-consistent self-consistent
singles and doubles configuration interaction method.
Application to ionization potentials
AU J.Pitarch-Ruiz, J.Sanchez-Marin, and D.Maynau
TE Chemisorption of NH{_3} on Si(100-)-(2x1): A study by
first-principles ab initio and density funcional theory
AU Zhi-Heng Loh and H.Chuan Kang
TE Ab initio study of interactions in methylamine clusters. The
significance of cooperative effects
AU Enrique M.Cabaleiro-Lago and Miguel A.Rios
TE Theoretical characterization of the excited-state structures and
properties of phenol and its oneater complex
AU Wei-Hai Fang
TE On the divergent behavior of Moller-Plesset perurbation theory
for the molecular electric dipole moment
AU Helena Larsen, Asger Halkier, Jeppe Olsen, and Poul Jorgensen
TE Ab initio calculation of the zero-field splitting parameter D of
benzene and naphthalene
AU B.Bomfleur, M.Sironi, M.Raimondi, and J.Voitlander
TE Globular state of random copolymers with aritrary amphiphilicity
AU Fabio Ganazzoli
TE Generalized van der Waals density functional theory for
non-uniform polymers
AU Chandra N.Patra and Arun Yethiraj
TE Theoretical study of polymeric mixtures with different sequence
statistics: I. Ising class: Linear random copolymers with
different statistical sequences and terary blends of linear
random copolymers with homopolymers
AU Shuyan Qi and Arup K.Chakraborty
TE Theoretical study of polymeric mixtures with diffeent sequence
statistics: II. Brazovskii class: Linear random copolymers with
diblock copolymers
AU Shuyan Qi and Arup Chakraborty
TE Almost temperature independent charge carrier mobiities in
liquid crystals
AU M.A.Palenberg, R.J.Silbey, M.Malagoli, and J.-L.Bredas
TE Modeling of dynamic molecular solvent properties using local and
cavity field approaches
AU Peter Macak, Patrick Norman, Yi Luo, and Hans Agren
TE Calculation of helical twisting power for liquid crystal chiral
dopants
AU Melanie J.Cook and Mark R.Wilson
TE A simulation study of the decay of the pair correation function
in simple fluids
AU Marjolein Dijkstra and Robert Evans
TE Frequency dependence of ionic conductivity of electrolyte
solutions
AU Amalendu Chandra and Biman Bagchi
TE Tumbling and spinning diffusions of acetonitrile in water and
organic solvents
AU Chihiro Wakai, Hirokazu Siato, Nobuyuki Matubayasi,
and Masaru Nakahara
TE Melt layer-solidification of fatty acids in a rectangular cell
AU Keisuke Fukui and Kouji Maeda
TE Microscopic density fluctuations and solvation in polymeric
fluids
AU Shekhar Garde, Rajesh Khare, and Gerhard Hummer
TE Formation and equilibrium properties of living polymer brushes
AU A.Milchev, J.P.Wittmer, and D.P.Landau
TE Enhanced saturation coverages in adsorptionesorption processes
AU Paul R.Van Tassel, Pascal Viot, Gilles Tarjus, Jeremy J.Ramsden,
and Julian Talbot
TE Tensor analysis of the second-order nonlinear optical
susceptibility of chiral anisotropic thin films
AU Martti Kauranen, Sven Van Elshocht, Thierry Verbiest,
and Andre Persoons