화학공학소재연구정보센터

Journal of Chemical Physics

Journal of Chemical Physics, Vol.115, No.19 Entire volume, number list
ISSN: 0021-9606 (Print) 

In this Issue (40 articles)

8725 - 8730 Description of a high-density homogeneous electron gas with the Yasuda density matrix functional
Cioslowski J, Ziesche P, Pernal K
8731 - 8741 Computing phase equilibria by parallel excluded volume tempering
Vlugt TJH, Dunweg B
8742 - 8747 The Step and Slide method for finding saddle points on multidimensional potential surfaces
Miron RA, Fichthorn KA
8748 - 8757 Towards extending the applicability of density functional theory to weakly bound systems
Wu X, Vargas MC, Nayak S, Lotrich V, Scoles G
8758 - 8772 Towards multireference equivalents of the G2 and G3 methods
Solling TI, Smith DM, Radom L, Freitag MA, Gordon MS
8773 - 8783 Real-space computation of dynamic hyperpolarizabilities
Iwata JI, Yabana K, Bertsch GF
8784 - 8794 Comparison of inherent, instantaneous, and saddle configurations of the bulk Lennard-Jones system
Shah P, Chakravarty C
8795 - 8809 Spectroscopic properties of lead trimer (Pb-3 and Pb-3(+)): Potential energy surfaces, spin-orbit and Jahn-Teller effects
Balasubramanian K, Majumdar D
8810 - 8818 Femtosecond photoelectron imaging on pyrazine: Spectroscopy of 3s and 3p Rydberg states
Song JK, Tsubouchi M, Suzuki T
8819 - 8827 Intramolecular isotope effects in the reactions of CF32+ and CO22+ with HD
Tafadar N, Kearney D, Price SD
8828 - 8837 Ab initio CASPT2//CASSCF study of the O(D-1)+H2O(X (1)A(1)) reaction
Sayos R, Oliva C, Gonzalez M
8838 - 8851 Ab initio, VTST, and QCT study of the 1(2)A('') potential energy surface of the N(D-2)+O-2(X-3 Sigma(-)(g))-> O(P-3)+NO(X-2 Pi) reaction
Gonzalez M, Miquel I, Sayos R
8852 - 8857 Collision-induced absorption in the nu(2) fundamental band of CH4. I. Determination of the quadrupole transition moment
Tipping RH, Brown A, Ma Q, Hartmann JM, Boulet C, Lievin J
8858 - 8867 Spectroscopic properties of mixed gallium arsenide tetramers: GaAs3 +/-, GaAs3, Ga3As +/-, and Ga3As
Balasubramanian K, Zhu XL
8868 - 8875 On the energy dependence of the hyperfine interaction in excited states of NO2
Xin J, Reid SA, Santoro F, Petrongolo C
8876 - 8879 The unimolecular dissociation of HCO. V. Mixings between resonance states
Brandt-Pollmann U, Weiss J, Schinke R
8880 - 8887 The unimolecular dissociation of the OH stretching states of HOCl: Comparison with experimental data
Weiss J, Hauschildt J, Schinke R, Haan O, Skokov S, Bowman JM, Mandelshtam VA, Peterson KA
8888 - 8898 Structure and charge transfer dynamics of the (Ar-N-2)(+) molecular cluster
Candori R, Cavalli S, Pirani F, Volpi A, Cappelletti D, Tosi P, Bassi D
8899 - 8912 The Ar-HCl potential energy surface from a global map-facilitated inversion of state-to-state rotationally resolved differential scattering cross sections and rovibrational spectral data
Geremia JM, Rabitz H
8913 - 8920 Molecular-dynamics simulation of homogeneous nucleation in the vapor phase
Toxvaerd S
8921 - 8932 Three-dimensional simulations of reversible bimolecular reactions: The simple target problem
Popov AV, Agmon N
8933 - 8941 Time-resolved fluorescence of polarizable chromophores
Matyushov DV
8942 - 8948 Femtosecond mid-infrared spectroscopy of aqueous solvation shells
Kropman MF, Bakker HJ
8949 - 8957 Solvent effect on the nuclear magnetic shielding: ab initio study by the combined reference interaction site model and electronic structure theories
Yamazaki T, Sato H, Hirata F
8958 - 8966 Methyl group dynamics in glassy toluene: A neutron scattering study
Moreno AJ, Alegria A, Colmenero J, Prager M, Grimm H, Frick B
8967 - 8977 Curvature dependent surface tension from a simulation of a cavity in a Lennard-Jones liquid close to coexistence
Moody MP, Attard P
8978 - 8982 The influence of interaction details on the thermal diffusion in binary Lennard-Jones liquids
Bordat P, Reith D, Muller-Plathe F
8983 - 9000 Phase modulated Lee-Goldburg magic angle spinning proton nuclear magnetic resonance experiments in the solid state: A bimodal Floquet theoretical treatment
Vinogradov E, Madhu PK, Vega S
9001 - 9009 Binding and ordering of C-60 on Pd(110): Investigations at the local and mesoscopic scale
Weckesser J, Cepek C, Fasel R, Barth JV, Baumberger F, Greber T, Kern K
9010 - 9017 Orientational order study of monolayers at the air-water interface by Maxwell-displacement current and optical second harmonic generation
Tojima A, Manaka T, Iwamoto M
9018 - 9027 Eley-Rideal and hot atom reactions between hydrogen atoms on Ni(100): Electronic structure and quasiclassical studies
Guvenc ZB, Sha XW, Jackson B
9028 - 9035 N-2 dissociative adsorption on Ru(0001): The role of energy loss
Diekhoner L, Mortensen H, Baurichter A, Jensen E, Petrunin VV, Luntz AC
9036 - 9041 Re-entrant ferroelectric phases in binary mixtures of ferroelectric and antiferroelectric homologues of a series with three chiral centers
Novotna V, Glogarova M, Hamplova V, Kaspar M
9042 - 9045 Melt viscosities of lattice polymers using a Kramers potential treatment
Durr O, Frisch HL, Dieterich W
9046 - 9049 The effect of conjugation length on triplet energies, electron delocalization and electron-electron correlation in soluble polythiophenes
Monkman AP, Burrows HD, Hamblett I, Navarathnam S, Svensson M, Andersson MR
9050 - 9054 Intrachain fluorescence quenching in a flexible polymer: A theory for frequency-domain fluorometric experiments
Sung JY, Lee S
9055 - 9064 A molecular dynamics simulation study of the phase behavior of an ensemble of rigid bead-necklace molecules
Tian P, Bedrov D, Smith GD, Glaser M
9065 - 9071 Anomalous orientational relaxation of solute probes in binary mixtures
Bhattacharyya S, Bagchi B
9072 - 9083 The isotropic-nematic transition in hard Gaussian overlap fluids
de Miguel E, del Rio EM
9084 - 9091 Monte Carlo simulations for a fluctuating sphere labeled on a flexible polymer chain in good solvents
Chen Y, Shew CY