Journal of Chemical Physics, 1999, V 110, N24, 22 June.
TE Nondegenerate four-wave mixing spectroscopy of hybrid IR-Raman
scattering. Two-dimensional vibrational spectroscopy involving
IR-absorption and Raman scattering processes
AU Ki-Sam Park and Minhaeng Cho
TE Uniform semiclassical calculation of the direct part of the
photodissociation cross section of water
AU Bruno Hupper and Bruno Eckhardt
TE Classical-quantum correspondence in multiphoton dissociation of
diatomic molecules by chirped laser pulses
AU Jung-Hoon Kim, Wing-Ki Liu, and Jian-Min Yuan
TE Influence of the chemical environment on the electronic
structure and spectroscopic proerties of Er{^3+} doped
Cs{_3}Lu{_2}Cl{_9}, Cs{_3}Lu{_2}Br{_9},and Cs{_3}Y{_2}I{_9}
AU Stefan R.Luthi, Hans U.Gudel, and Markus P.Hehlen
TE Radiative lifetime measurement of the a{^3}{SIGMA}{^+}
metastable state of NO{^+} using a new type of electrostatic ion
trap
AU R.Wester, K.G.Bhushan, N.Alstein, D.Zajfman, O.Heber,
and M.L.Rappaport
TE Chlorine atom formation dynamics in the dissociaion of
CH{_3}CF{_2}Cl (HCFC-142b) after UV laser photoxcitation
AU Richard A.Brownsword, Patricia Schmiechen, Hans-Robert Volpp,
Hari P.Upadhyaya, Young Jae Jung, and Kyung-Hoon Jung
TE Measurement of the HD(v'=2,J'=3) product differential cross
section for the H + D{_2} exchange reaction at 1.55 + 0.05 eV
using the photoloc technique
AU Felix Fernandez-Alonso, Brian D.Bean, and Richard N.Zare
TE Raman study of the trans-gauche conformational equiluibrium of
1,2-dichloroethane in water: Experimental evidence for the
hydrophobic effect
AU Minoru Kato, Isao Abe, and Yoshihiro Taniguchi
TE An ab initio potential energy surface for Ne-CO
AU George C.McBane and Slawomir M.Cybulski
TE State to state Ne-CO rotationally inelastic scattering
AU Stiliana Antonova, Ao Lin, Antonis P.Tsakotellis,
and George C.McBane
TE The photodissociation dynamics of CFBr excited into the
A{^~}({^1}A") state
AU Pamela T.Knepp and Scott H.Kable
TE Orientation of pyrimidine in the gas phase using a strong
electron field: Spectroscopy and relaxtion dynamics
AU Karen J.Franks, Hongzhi Li, and Wei Kong
TE Quantum molecular dynamics calculations and expeimental Raman
spectra confirm the proposed strucure of the odd-numbered
dimeric fullerene C{_119}
AU Sergei Lebedkin, Hermann Rietschel, Gary B.Adams, John B.Page,
William E.Hull, Frank H.Hennrich, H.-J.Eisler, M.M.Kappes,
and Wolfgang Kratschmer
TE Infrared spectrum and ab initio calculations of the
CH{_3}CNH{^+} - H{_2} ionic complex
AU Otto Dopfer, Doris Roth, Rouslan V.Olkhov and John P.Maier
TE Perturbation theory approach to tunneling: Direct and resonance
transmission in super-exchange models
AU Misha Galperin, Dvira Segal, and Abraham Nitzan
TE Compton profile study of bonding in BeO
AU K.B.Joshi, Rajesh Jain, R.K.Pandya, B.L.Ahuja, and B.K.Sharma
TE A new method for simulating the late stages of island coarsening
in thin film growth: The role of island diffusion and evaporation
AU Thomas R.Mattsson, Greg Mills, and Horia Metiu
TE Photodissociation dynamics of acetylacetone: The OH product
state distribution
AU Min-Chul Yoon, Young S.Choi, and Sang Kyu Kim
TE Vibrational levels and statistical analysis of the
X({^1}{1/2}{_g}{^+}) ground state of CS{_2}
AU G.Brasen and W.Demtroder
TE The rotational spectrum of chloryl chloride, ClClO{_2}, in its
ground vibrational state
AU Holger S.P.Muller, Edward A.Cohen, and Dines Christen
TE Photofragmentation spectroscopy of Al{^+} (C{_2}H{_4})
AU J.Chen.T.-H.Wong, P.D.Kleiber, and K.-H.Yang
TE Vibration-rotation emission spectra and combined isoopomer
analyses for the coinage metal hydrides: CuH and CuD, AgH and
AgD, and AuH and AuD
AU Jenning Y.Seto, Zulfikar Morbi, Frank Charron, Sang K.Lee,
Peter F.Bernath, and Robert J.Le Roy
TE Theory of laser cooling of polyatomic molecules in an
electronically excited state
AU Hicham Wadi and Eli Pollak
TE The {^57}Fe NMR shielding in ferrocene revisited. A
density-functional study of shielding mechanisms and the
influence of the exchange-correlation functional
AU Georg Schreckenbach
TE Calculation of frequency-dependent first hyperpolarizabilities
using the second-order Mollerlesset perturbation theory
AU Takao Kobayashi, Kotoku Sasagane, Fumihiko Aiga,
and Kizashi Yamaguchi
TE Ab initio study of the n-{pi}* electronic transition in acetone:
Symmetry-forbidden vibronic spectra
AU D.W.Liao, A.M.Mebel, M.Hayashi, Y.J.Shiu, Y.T.Chen, and S.H.Lin
TE Perturbatively selected CI as an optimal source for externally
corrected CCSD
AU G.Peris, J.Planelles, J.-P.Malrieu, and J.Paldus
TE Quantum Monte Carlo study of the dipole moment of CO
AU F.Schautz and H.-J.Flad
TE Trihydrogen cation solvated by rare gas atoms: Rg{_n}H{_3}{^+}
AU Martin Beyer, Elena V.Savchenko, and Vladimir E.Bondybey
TE Anions made of cations and dianions: [CsC{_9}]{^-} and
[CsC{_7}]{^-}
AU A.Dreuw and L.S.Cederbaum
TE Localized and extended electronic eigenstates in proteins: A
tight -binding approach
AU Thorsten Koslowski
TE Basis set superposition error-counterpoise corrected potential
energy surfaces. Application to hydrogen peroxide...X (X =
F{^-}, Cl{^-}, Br{^-}, Li{^+}, Na{^+}) complexes
AU Martha C.Daza, J.A.Dobado, Jose Molina Molina, Pedro Salvador,
Miquel Duran, and Jose Luis Villaveces Cardoso
TE Scratching the surface of the water dication
AU Timothy J.Van Huis, Steven S.Wesolowski, Yukio Yamaguchi,
and Henry F.Schaefer III
TE Ab initio and molecular dynamics studies on rare gas hydrides:
Potential energy curves, isotropic hyperfine properties, and
matrix cage trapping of atomic hydrogen
AU Toni Kiljunen, Jussi Eloranta, and Henrik Kunttu
TE Effects of basis set and electron correlation on the calculated
interaction energies of hydrogen bonding complexes: MP2/cc-pV5Z
calculations of H{_2}O-MeOH, H{_2}O-Me{_2}O, H{_2}O-H{_2}CO,
MeOH-MeOH and HCOOH-HCOOH complexes
AU Seiji Tsuzuki, Tadafumi Uchimaru, Kazunari Matsumura,
Masuhiro Mikami, and Kazutoshi Tanabe
TE A search for quadrupole-bound anions. I.
AU Gennady L.Gutsev, Puru Jena, and Rodney J.Bartlett
TE The quartet and sextet states of CS{^-}
AU M.Hochlaf, G.Chambaud, P.Rosmus, and T.Andersen
TE The ground state benzene-argon intermolecular potential energy
surface
AU Henrik Koch, Berta Fernandez, and Jan Makrewicz
TE A combined quantum mechanics and molecular dynamics study of
small Jahn-Teller distorted hydrocarbons: Another difficult test
for density-functional theory
AU Stacey D.Wetmore, Russell J.Boyd, Leif A.Eriksson,
and Aatto Laaksonen
TE Hydrogen bond and cooperative effect in the reactions of HOCl
with HCl on water clusters
AU Si Chuan Xu
TE The Re{_6}Se{_8}Cl{_6}{^4-} and Re{_6}Se{_8}I{_6}{^4-} cluster
ions. Another example of luminescent clusters?
AU Ramiro Arratia-Perez and Lucia Hernandez-Acevedo
TE Critical conditions for stable dipole-bound dianions
AU Cecilia Sarasola, Joseph E.Fowler, and Jesus M.Ugalde
TE Theoretical studies of CH{_4}(H{_2}O){_20}, (H{_2}O){_21},
(H{_2}O){_20} and fused dodecahedral and tetraaidecahedral
structures: How do natural gas hydrates form?
AU Arshad Khan
TE Femtosecond pump-probe study of molecular vibronic structures
and dynamics of a cyanine dye in solution
AU T.-S.Yang, M.-S.Chang, R.Chang, M.Hayashi, S.H.Lin,
P.Voehringer, W.Dietz, and N.F.Scherer
TE Polymer chain dynamics in dilute solution under Couette flow:
Behavior of poly({alpha}-methylstyrene) in good solvent
AU Yoshisuke Tsunashima
TE Polymers simulated with an improved 'rebound selection'
AU Z.Alexandrowicz
TE An investigation of the shape and crossover scalng of flexible
tangent hard-sphere polymer chains by Monte Carlo simulation
AU Andrew J.Haslam, George Jackson, and Tom C.B.McLeish
TE Tracing coexistence lines in multicomponent fluid mixtures by
molecular simulation
AU Fernando A.Escobedo
TE Rate constants of spherical dispersions: From diffusion-limited
data to non-diffusion limited results
AU Shih-Yuan Lu
TE Ensemble dependence of confined hard-rod fluids
AU Soon-Chul Kim
TE An ab initio analysis of medium perturbation on molecular
polarizabilities
AU Akihiro Morita and Shigeki Kato
TE A simple model of tracer-diffusion of non-spherical Brownian
particles
AU F.de J.Guevara-Rodriguez and M.Medina-Noyola
TE Intermediate-time tracer-diffusion of non-spherical Brownian
particles
AU F.de J.Guevara-Rodriguez and M.Medina-Noyola
TE Monte Carlo simulations of smectic phase transiions in
flexible-rigid-flexible molecules
AU Alison Casey and Peter Harrowell
TE Monte Carlo study of the phase structure of compact polymer
chains
AU Anders Irbaeck and Erik Sandelin
TE Molecular polarisation in water chains
AU Kersti Hermansson and Maria Alfredsson
TE Lattice vibrations and thermodynamic stability of polymerized
C{_60} deduced from heat capacities
AU Akira Inaba, Takasuke Matsuo, Ake Fransson, and Bertil Sundqvist
TE Molecular theory of thermomechanical coupling in cholesteric
liquid crystals
AU Sten Sarman
TE Random walks with nearest neighbors prohibited on the diamond
lattice
AU Vladimir Tchijov and Suemi Rodriguez-Romo
TE Comparison of structural properties of different polymer network
types as obtained by computer simulation
AU Stefan Lay, Jens-Uwe Sommer, and Alexander Blumen
TE The equation of state of supercritical HF, HCl, and reactive
supercritical mixtures containing the elements H, C, F, and Cl
AU Laurence E.Fried and W.Michael Howard
TE Angular distributions of Ar reflected from molten metal surfaces
AU A.Muis and J.R.Manson
TE A molecular dynamics simluation study of water on NaCl(100)
using a polarizable water model
AU Elmar Stockelmann and Reinhard Hentschke
TE Fractal behavior of galvanic current of dual electrode type of
atmospheric corrosion monitor
AU M.Saitou, W.Oshikawa, S.Itomura, and S.Tsuzikawa
TE Optical spectra and thermal Schottky levels in dysprosium
sesquisulfide
AU John B.Gruber, Bahram Zandi, Bruce Justice, and Edgar F.Westrum,
Jr.
TE Adsorption of water on NaCl(001). I. Interolecular potentials
and low temperature structures
AU Ola Engkvist and Anthony J.Stone
TE Studies on electronic structures of semiconuctors by atomic
force microscopy
AU Masaaki Shimizu, Hiroyuki Watanabe, Kazunori Anazawa,
Tomoko Miyahara, and Chikara Manabe
TE Modeling analysis of molecular chiral effect detected by
Maxwell-displacement-current measrements
AU Zhao Wei, Chen-Xu Wu, Mitsumasa Iwamoto, and Ou-Yan Zhong-can
TE NO monomer and (NO){_x} polymeric chain chemisorpion on Pt{110}:
Structure and energetics
AU Q.Ge, W.A.Brown, R.K.Sharma, and D.A.King