Journal of Chemical Physics

Journal of Chemical Physics, Vol.113, No.12 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (31 articles)

4837 - 4839	Single molecule vibrational spectroscopy and microscopy: Cu(II) etioporphyrin-I on Cu(001) Wallis TM, Chen X, Ho W
4840 - 4843	Microwave spectra of HCN and DCN in He-4 nanodroplets: A test of adiabatic following Conjusteau A, Callegari C, Reinhard I, Lehmann KK, Scoles G
4844 - 4851	Nonequilibrium hard-disk packings with controlled orientational order Kansal AR, Truskett TM, Torquato S
4852 - 4862	Using a classical potential as an efficient importance function for sampling from an ab initio potential Iftimie R, Salahub D, Wei DQ, Schofield J
4863 - 4868	Efficient multidimensional free energy calculations for ab initio molecular dynamics using classical bias potentials VandeVondele J, Rothlisberger U
4869 - 4875	Rate constants for energy transfer in carbon monoxide Coletti C, Billing GD
4876 - 4884	Infrared spectra of the C2H2-HCl complexes: An experimental and ab initio study Carcabal P, Broquier M, Chevalier M, Picard-Bersellini A, Brenner V, Millie P
4885 - 4895	Computer simulation of the thermodynamic properties of high-temperature chemically-reacting plasmas Lisal M, Smith WR, Nezbeda I
4896 - 4900	Permanent electric dipoles in B (1)Pi and D (1)Pi states of NaRb: Experiment and theory Nikolayeva O, Klincare I, Auzinsh M, Tamanis M, Ferber R, Pazyuk EA, Stolyarov AV, Zaitsevskii A, Cimiraglia R
4901 - 4911	Selective excitation of diatomic molecules by chirped laser pulses Chang BY, Sola IR, Malinovsky VS, Santamaria J
4912 - 4932	Translational and rotational excitation of the CO2(00(0)0) vibrationless state in the collisional quenching of highly vibrationally excited 2-methylpyrazine: Kinetics and dynamics of large energy transfers Sevy ET, Rubin SM, Lin Z, Flynn GW
4933 - 4937	Enthalpy-entropy interplay for C-36 cages: B3LYP/6-31G(*) calculations Slanina Z, Uhlik F, Zhao X, Osawa E
4938 - 4941	Three particle description of H-inert gas interaction Patil SH
4942 - 4950	Simultaneous optimization of exponents, centers of Gaussian-type basis functions, and geometry with full-configuration interaction wave function: Application to the ground and excited states of hydrogen molecule Tachikawa M, Osamura Y
4951 - 4956	Speed-dependent line profile: A test of a unified model from the Doppler to the collisional regime for molecule-molecule collisions Chaussard F, Saint-Loup R, Berger H, Joubert P, Bruet X, Bonamy J, Robert D
4957 - 4964	Reaction class transition state theory: Hydrogen abstraction reactions by hydrogen atoms as test cases Truong TN
4965 - 4973	Time and temperature invariances in the evolution of properties through the glass transition Mascarell JB, Garcia-Belmonte G
4974 - 4984	Molecular Ornstein-Zernike approach to the solvent effects on solute electronic structures in solution Yoshida N, Kato S
4985 - 5002	Thermodynamic properties of H2O and D2O in the critical region Wyczalkowska AK, Abdulkadirova KS, Anisimov MA, Sengers JV
5003 - 5017	Magnetic circular dichroism of symmetry and spin forbidden transitions of high-spin metal ions Oganesyan VS, Thomson AJ
5018 - 5025	Transient electronic absorption of vibrationally excited CH2I2: Watching energy flow in solution Bingemann D, King AM, Crim FF
5026 - 5036	Gibbs ensemble simulation of water in spherical cavities Brovchenko I, Paschek D, Geiger A
5037 - 5040	Ice nanotube: What does the unit cell look like? Koga K, Parra RD, Tanaka H, Zeng XC
5041 - 5052	Vibrational dephasing dynamics at hydrogenated and deuterated semiconductor surfaces: Symmetry analysis Wang JK, Tsai CS, Lin CE, Lin JC
5053 - 5057	Surface-induced dissociation of singly and multiply charged fullerene ions Biasioli F, Fiegele T, Mair C, Herman Z, Echt O, Aumayr F, Winter HP, Mark TD
5058 - 5064	Radiation enhanced diffusion of Ti in Al2O3 Weiss M, Lu M, van der Heide P, Lee SM, Ada E, Lee HS, Rabalais JW
5065 - 5071	Comparison of three Monte Carlo conformational search strategies for a proteinlike homopolymer model: Folding thermodynamics and identification of low-energy structures Gront D, Kolinski A, Skolnick J
5072 - 5077	Compactness, aggregation, and prionlike behavior of protein: A lattice model study Giugliarelli G, Micheletti C, Banavar JR, Maritan A
5078 - 5090	A computer simulation study of tilted smectic mesophases Withers IM, Care CM, Cleaver DJ
5091 - 5097	Small mesoscopic particles in dilute and semidilute solutions of nonadsorbing polymers Eisenriegler E
5098 - 5106	Pseudosolid nuclear magnetic resonance approach to poly(ethylene-oxide) chain dynamics in the melt Guillermo A, Addad JPC, Bytchenkoff D