Journal of Chemical Physics, 1999, V 110, N 18, 8 May,


TE Coherent control of multisubband wavepackets with THz pulses
AU P.I.Tamborenea and H.Metiu

TE Comparative configurational study for He,Ne and Ar trimers
AU T.Gonzalez-Lezana, J.Rubayo-Soneira, S.Miret-Artes,
   F.A.Gianturco, G.Delgado-Barrio, and P.Villarreal

TE Theory of single molecule fluorescence spectroscopy of
   two-state systems
AU A.M.Berezhkovskii, A.Szabo, and G.H.Weiss

TE On the problem of fitting many-body potentials. I. The minimal
   maximum error scheme and the paradigm of metal systems
AU M.J.Lopez and J.Jellinek

TE An infrared spectroscopic and density functional investigation
   of dinitrogen activation by group IV metal atoms
AU Gary P.Kushto, Philip F.Souter, George V.Chertihin,
   and Lester Andrews

TE Temperature dependence of electron attachment to methylene
   chloride
AU L.A.Pinnaduwage, C.Tav, D.L.McCorkle, and W.X.Ding

TE Complexes of neon with non-aromatic ring molecules: Rotational
   spectrum, dynamics and bond energy of 2,5-dihydrofuran-neon
AU Assimo Maris, Paolo G.Favero, Adele Dell' Erba,
   and Walther Caminati

TE Calculating ro-vibrational energy levels of a triatomic
   molecule with a simple Lanczos method
AU Pranab Sarkar, Nicolas Poulin, and Tucker Carrington Jr.

TE Structures and the vibrational relaxations of size- selected
   benzonitrile-(H{_2}O){_n=1-3} and -(CH{_3}OH){_n=1-3} clusters
   studied by fluorescence detected Raman and infrared
   spectroscopies
AU Seiichi Ishikawa, Takayuki Ebata, and Naohiko Mikami

TE A combined photoelectron spectroscopy and ab initio study of the
   hypermetallic Al{_3}C molecule
AU Alexander I.Boldyrev, Jack Simons, Xi Li, Wenwu Chen,
   and Lai-Sheng Wang

TE Anion photoelectron spectroscopy of PdCO{^-} and PdCN{^-};
   reactivity of Pd{^-}
AU Stephan A.Klopic, Vicki D.Moravec, and Caroline Chick Jarrold

TE Electronic accessibility of dissociation channels in an amide:
   N,N-dimethylformamide photodissociation at 193 nm
AU Nancy R.Forde, Laurie J.Butler, and Samuel A.Abrash

TE Green bands of the CsHg molecule
AU R.Polly, S.Dinev, L.Windholz, S.Milosevic, and B.A.Hess

TE Dissociative photoionization of CH{_3}SSCH{_3} in the region
   ~8-25 eV
AU Su-Yu Chiang, Chien-I Ma, and Der-Jr Shr

TE Single-molecule fluorescence autocorrelation experiments on
   pentacene. The dependence of intersystem crossing on isotopic
   composition
AU A.C.J.Brouwer, J.Kohler, A.M.van Oijen, E.J.J.Groenen,
   and J.Schmidt

TE Classification of organic molecules to obtain electron
   affinities from half wave reduction potentials: The aromatic
   hydrocarbons
AU Edward S.Chen, Edward C.M.Chen, Neeta Sane, Laura Talley,
   Nancy Kozanecki, and Shawn Shulze

TE Nascent rovibrational distribution of NO{^+}(A{^1}{PI}) produced
   from charge-transfer reaction of He{_2}{^+} with NO at thermal
   energy
AU Masaharu Tsuji, Yukio Nishimura, Hiroaki Ishimi,
   Masahiro Hisano, and Hidefumi Oota

TE Infrared spectra of Cl{^-}-(C{_2}H{_2}){_n} (1{^<}n{^<}9) anion
   clusters: Spectroscopic evidence for solvent shell closure
AU P.S.Weiser, D.A.Wild, and E.J.Bieske

TE Time-integrated form of the semiclassical initial value method
AU Y.Elran and K.G.Kay

TE Angular distributions of photoelectrons ejected from
   fixed-in-space molecules of C{_3v} symmetry group
AU V.V.Kuznetsov, N.A.Cherepkov, G.H.Fecher, and G.Schonhense

TE Structures and energetics of the water heptamer: Comparison with
   the water hexamer and octamer
AU Jongseob Kim, D.Majumdar, Han Myoung Lee, and Kwang S.Kim

TE CASSCF and MRCI studies of the differences between the low-lying
   excited states of HO{_2} and HO{_2}-H{_2}O
AU Simone Aloisio, Yumin Li, and Joseph S.Francisco

TE Structures, energetics, and spectra of fluoride-water clusters
   F{^-} (HJ{_2}O){_n}, n=1-6: Ab initio study
AU Jiwon Baik, Jongseob Kim, D.Majumdar, and Kwang S.Kim

TE Two-component calculations for the molecules containing
   superheavy elements: Spin-orbit effects for (117)H, (113)H and
   (113)F
AU Young-Kyu Han, Cheolbeom Bae, and Yoon Sup Lee

TE Infrared spectra and density functional calculations of
   cyclic-O{_6}{^+} and trans-O{_6}{^+} in solid neon and argon
AU Mingfei Zhou, Jale Hacaloglu, and Lester Andrews

TE X-ray and electron scattering intensities of molecules
   calculated using density functional theory
AU Garry T.Smith, Awadh N.Tripathi, and Vedene H.Smith, Jr.

TE Relativistic effects in gold chemistry. VI. Coupled cluster
   calculations for the isoelectronic series AuPt{^-}, Au{_2} and
   AuHG{^+}
AU Ralf Wesendrup, Jon K.Laerdahl, and Peter Schwerdtfeger

TE Green's function calculation of electron spin polarization. II.
   Approximation schemes
AU A.B.Doktorov, A.A.Neufeld, and J.Boiden Pedersen

TE Green's function calculation of electron spin polarization. III.
   Freely diffusing radical pairs
AU A.B.Doktorov, A.A.Neufeld, and J.Boiden Pedersen

TE Effects of halogenation on the ionized and excited states of
   free-base and zinc porphyrins
AU Kiet A.Nguyen, Paul N.Day, and Ruth Pachter

TE Dipole-bound anion of water dimer: Theoretical ab initio study
AU Hsig-Yin Chen and Wen-Shyan Sheu

TE On exact and approximate exchange - energy densities
AU Michael Springborg and Jens Peder Dahl

TE Molecular dynamics simulation of structure formation of short
   chain molecules
AU Susumu Fujiwara and Tetsuya Sato

TE Small-angle scattering of interacting particles. III.
   D{_2}O-C{_12}E{_5} mixtures and microemulsions with n-octane
AU J.Brunner-Popela, R.Mittelbach, R.Strey, K.-V.Schubert,
   E.W.Kaler, and O.Glatter

TE Diffusional growth of colloids
AU Dima Mozyrsky and Vladimir Privman

TE Direct molecular simulation of gradient-driven diffusion of
   large molecules using constant pressure
AU Aidan P.Thompson and Grant S.Heffelfinger

TE Discrete singular convolution for the solution of the
   Fokker-Planck equation
AU G.W.Wei

TE Rotational dynamics of pyrrolopyrrole derivatives in alcohols:
   Does solute-solvent hydrogen bonding really hinder molecular
   rotation?
AU G.B.Dutt, V.J.P.Srivatsavoy, and A.V.Sapre

TE H-bonding in liquid acetamide as studied by X-ray scattering
AU Salah Nasr, Mounir Ghedira, and Robert Cortes

TE Locating all transition states and studying the reaction
   pathways of potential energy surfaces
AU K.M.Westerberg and C.A.Floudas

TE Regularity in chaotic reaction paths I: Ar{_6}
AU Tamiki Komatsuzaki and R.Stephen Berry

TE Charge carrier transport in conjugated polymers
AU D.Hertel, H.Bassler, U.Scherf, and H.H.Horhold

TE Picosecond mobilities of neat dioamino poly(propylene imine)
   dendrimer (DAB(CN){_64} from a Raman study of its CN stretching
   fundamental
AU Michel Perrot, Walter G.Rothschild, and Raymond M.Cavagnat

TE Undulational instabilities of smectic thin films on
   heterogeneous patterned surfaces under positive and negative
   strain. The case of diblock copolymers
AU G.G.Pereira and D.R.M.Williams