Journal of Chemical Physics, 2000, V 112, N 4, Jan 22.

ISSN 0021-9606
New energy partitioning scheme based on the self-consistent 
charge and configuration method for subsystems: Application 
to water dimer system.
Korchowiec J; Uchimaru T.
pp 1623-1633
Nonorthogonal localized molecular orbitals in electronic 
structure theory.
Liu SB; Perez-Jorda JM; Yang WT.
pp 1634-1644
Vibrational corrections to properties at arbitrary 
reference geometry.
Ingamells VE; Papadopoulos MG; Sadlej AJ.
pp 1645-1654
The open shell single reference size-consistent self-consistent 
Singles and doubles configuration interaction method:
Application to ionization potentials. 
Pitarch-Ruiz J; Sanchez-Marin J; Maynau D.
pp 1655-1669
New generalized gradient approximation functionals. 
Boese AD; Doltsinis NL; Handy NC; Sprik M.
pp 1670-1678
Molecular electronic structure using auxiliary field Monte Carlo,
plane-waves, and pseudopotentials. 
Baer R; Neuhauser D.
pp 1679-1684
Generalized Gaussian moment thermostatting: A new continuous dynamical
approach to the canonical ensemble. 
Liu Y; Tuckerman ME.
pp 1685-1700
Double-resonance spectroscopy of the high Rydberg states of HCO. IV.
Vibrational autoionization dynamics as a function of bending amplitude.
Robinson JD; Foltynowicz RJ; Grant ER.
pp 1701-1706
Angle resolved photoelectron spectroscopy of O-2(a(1)Delta(g)) 
With synchrotron radiation. 
Beeching L; De Fanis A; Dyke JM; Gamblin SD; Hooper N; 
Morris A; West JB.
pp 1707-1712
Threshold collision-induced dissociation of anionic copper 
clusters and copper cluster monocarbonyls. 
Spasov VA; Lee TH; Ervin KM.
pp 1713-1720
Molecular beam study of the chemiluminescent reaction of 
manganese and ozone. 
Green KM; Kampf RP; Parson JM.
pp 1721-1732
The excited electronic states and the ionization potential 
of the AlND3 complex. 
Jakubek ZJ; Simard B.
pp 1733-1743
Cluster isolated chemical reaction (CICR) spectroscopy: 
Ba atoms and Ba(CH4)(n) complexes on large neon clusters. 
Briant M; Gaveau MA; Mestdagh JM; Visticot JP.
pp 1744-1756
Dissociation of diatomic molecules by elliptically polarized 
Chirped pulses. 
Kim JH; Liu WK; McCourt FRW; Yuan JM.
pp 1757-1762
Detection of O(D-1) produced in the photodissociation of O-2. I.
Identification of the (3)Sigma(-)(u) and (3)Pi(u) 
Rydberg states in 113-130 nm. 
Lee PC; Nee JB.
pp 1763-1768
Interaction of the water dimer with pi-systems: 
A theoretical investigation of structures, energies, 
and vibrational frequencies.[Review] 
Tarakeshwar P; Kim KS; Brutschy B.
pp 1769-1781
Raman spectrum and bonding of matrix isolated GeO2. 
Friesen M; Junker M; Schnockel H.
pp 1782-1784
State resolved reaction rates of the spin-forbidden 
predissociation of N2O: A quantum dynamics study of 
the rotational effect. 
Nakamura H; Kato S.
pp 1785-1796
State-resolved dissociation dynamics of triplet acetaldehyde 
near the dissociation threshold to form CH3+HCO. 
Huang CL; Chien V; Chen IC; Ni CK; Kung AH.
pp 1797-1803
Accurate potential energy and transition dipole moment 
curves for several electronic states of CO+. 
Okada K; Iwata S.
pp 1804-1808
Relativistic all-electron coupled-cluster calculations 
on Au-2 in the framework of the Douglas-Kroll transformation. 
Hess BA; Kaldor U.
pp 1809-1813
Gas phase ion chemistry and ab initio theoretical study 
of phosphine. III.Reactions of PH2+ and PH3+ with PH3. 
Antoniotti P; Operti L; Rabezzana R; Tonachini G; Vaglio GA.
pp 1814-1822
Laser spectroscopy of jet-cooled ethyl radical: 
Infrared studies in the CH2 stretch manifold. 
Davis S; Uy D; Nesbitt DJ.
pp 1823-1834
Photoacoustic measurements of the vibrational relaxation of the
selectively excited ozone (nu(3)) molecule in pure ozone and I
ts binary mixtures with O-2, N-2, and noble gases. 
Zeninari V; Tikhomirov BA; Ponomarev YN; Courtois D.
pp 1835-1843
Fluorobenzene and p-difluorobenzene microsolvated by methanol: 
An infrared spectroscopic and ab initio theoretical investigation. 
Buchhold K; Reimann B; Djafari S; Barth HD; Brutschy B; Tarakeshwar P; 
Kim KS.
pp 1844-1858
A quantum model Hamiltonian to treat reactions of the type X+YCZ(3)->
XY+CZ(3): Application to O(P-3)+CH4 -> OH+CH3. 
Palma J; Clary DC.
pp 1859-1867
Modeling of dynamic molecular solvent properties using local 
and cavity field approaches. 
Macak P; Norman P; Luo Y; Agren H.
pp 1868-1875
Frequency dependence of ionic conductivity of electrolyte 
Chandra A; Bagchi B.
pp 1876-1886
Flow, diffusion and crystallization of supercooled liquids: 
Ngai KL; Magill JH; Plazek DJ.
pp 1887-1892
Nonadditive three-body polarizabilities of molecules interacting 
at long range: Theory and numerical results for the inert gases, 
H-2, N-2, CO2,and CH4. [Review] 
Champagne MH; Li X; Hunt KLC.
pp 1893-1906
Pump/probe self heterodyned 2D spectroscopy of vibrational transitions of
a small globular peptide. 
Hamm P; Lim M; DeGrado WF; Hochstrasser RM.
pp 1907-1916
Effects of dephasing and vibronic structure on the first
hyperpolarizability of strongly charge-transfer molecules. 
Wang CH.
pp 1917-1924
Lateral interactions of CO in the (2x1)p2mg structure on Pd(110): Force
constants between tilted CO molecules. 
Kato H; Okuyama H; Ichihara S; Kawai M; Yoshinobu J.
pp 1925-1936
Reaction of gaseous oxygen with adsorbed carbon on Pt{110}(1x2). 
Walker AV; King DA.
pp 1937-1945
The bonding of CO to metal surfaces. 
Fohlisch A; Nyberg M; Bennich P; Triguero L; Hasselstrom J; Karis O;
Pettersson LGM; Nilsson A.
pp 1946-1958
Comparing the vibrational properties of low-energy modes of a molecular
and an atomic adsorbate: CO and O on Pt(111). 
Engstrom U; Ryberg R.
pp 1959-1965
Kinetic and Monte Carlo models of thin film coarsening: Cross over from
diffusion-coalescence to Ostwald growth modes. 
Lo A; Skodje RT.
pp 1966-1974
Scattering of xenon from Ni(111): Collision-induced corrugation and energy
transfer dynamics. 
Ellison MD; Matthews CM; Zare RN.
pp 1975-1983
Poiseuille flow of Lennard-Jones fluids in narrow slit pores. 
Travis KP; Gubbins KE.
pp 1984-1994
The Shpol'skii system perylene in n-hexane: A computational study of
inclusion sites. 
Wallenborn EU; Leontidis E; Palewska K; Suter UW; Wild UP.
pp 1995-2002
Distribution function approach to irreversible adsorption of interacting
colloidal particles. 
Faraudo J; Bafaluy J.
pp 2003-2015
Conformational transition behavior around glass transition temperature.
Liang TN; Yang Y; Guo DW; Yang XZ.
pp 2016-2020
Qualitative theory of rubber friction and wear. 
Persson BNJ; Tosatti E.
pp 2021-2029
Collapse of flexible polyelectrolytes in multivalent salt solutions.
Solis FJ; de la Cruz MO.
pp 2030-2035
Figures of merit of push-pull molecules in photorefractive polymers.
Barzoukas M; Blanchard-Desce M.
pp 2036-2044
Do "grow and exchange" simulations of polymers obey detailed balance?.
Alexandrowicz Z.
pp 2045-2049
A novel iterative strategy for protein design. 
Rossi A; Maritan A; Micheletti C.
pp 2050-2055