화학공학소재연구정보센터

Journal of Chemical Physics

Journal of Chemical Physics, Vol.117, No.17 Entire volume, number list
ISSN: 0021-9606 (Print) 

In this Issue (42 articles)

7827 - 7835 The Fourier transform Coulomb method: Efficient and accurate calculation of the Coulomb operator in a Gaussian basis
Fusti-Molnar L, Pulay P
7836 - 7844 Calculation of nuclear magnetic shieldings. XV. Ab initio zeroth-order regular approximation method
Fukui H, Baba T
7845 - 7851 Calculation of van der Waals coefficients in hydrodynamic approach to time-dependent density functional theory
Banerjee A, Harbola MK
7852 - 7863 Emergence of quantum-classical dynamics in an open quantum environment
Shiokawa K, Kapral R
7864 - 7871 Diffusion-limited reaction in the presence of random fields and transition rates
Lee JW
7872 - 7881 Spin-restricted coupled-cluster theory with triple excitations
Berente I, Szalay PG, Gauss J
7882 - 7888 Electronic structure and chemical bonding of divanadium-oxide clusters (V2Ox, x=3-7) from anion photoelectron spectroscopy
Zhai HJ, Wang LS
7889 - 7895 H-atom high-n Rydberg time-of-flight spectroscopy of C-H bond fission in acrolein dissociated at 193 nm
Parsons BF, Szpunar DE, Butler LJ
7896 - 7905 Orbitally dependent kinetic exchange in a heterobimetallic pair: Ferromagnetic spin alignment and magnetic anisotropy in the cyano-bridged Cr(III)Fe(II) dimer
Palii AV, Tsukerblat BS, Verdaguer M
7906 - 7913 Rotationally resolved structures in the fifth and sixth torsional states of (A)over-tilde(1)A'' acetaldehyde: Internal rotation above the torsional barrier
Chou YC, Huang CL, Chen IC, Ni CK, Kung AH
7914 - 7916 The nu(5) vibrational frequency of the vinyl radical: Conflict between theory and experiment
Sattelmeyer KW, Schaefer HF
7917 - 7924 Electronic structure and chemical bonding of B-5(-) and B-5 by photoelectron spectroscopy and ab initio calculations
Zhai HJ, Wang LS, Alexandrova AN, Boldyrev AI
7925 - 7930 Nuclear-excited Feshbach resonance in the Ar(P-3)+CH3Br Penning ionization reaction under orientation and velocity specified collisions
Okada S, Ohoyama H, Kasai T
7931 - 7941 Time-resolved resonance Raman spectroscopy and density functional theory investigation of the CH2I-I isomer and CH2I2 center dot center dot center dot I molecular complex products produced from ultraviolet photolysis of CH2I2 in the solution phase: Comparison of the structure and chemical reactivity of polyhalomethane isomers and polyhalomethane-halogen atom molecular complexes
Li YL, Wang D, Phillips DL
7942 - 7946 Fully relativistic calculation of nuclear magnetic shieldings and indirect nuclear spin-spin couplings in group-15 and-16 hydrides
Gomez SS, Romero RH, Aucar GA
7947 - 7959 Imaging O(P-3) plus alkane reactions in crossed molecular beams: Vertical versus adiabatic H abstraction dynamics
Liu XH, Gross RL, Hall GE, Muckerman JT, Suits AG
7960 - 7967 A theoretical study of the low-lying states of the AuSi molecule: An assignment of the excited A and D states
Abe M, Nakajima T, Hirao K
7968 - 7979 Resonance-leaking to specific background states: A loss mechanism in molecular multiphoton transitions
Jakubetz W, Lan BL
7980 - 7988 High resolution spectroscopy and channel-coupling treatment of the A(1)Sigma(+)-b(3)Pi complex of NaRb
Tamanis M, Ferber R, Zaitsevskii A, Pazyuk EA, Stolyarov AV, Chen HM, Qi JB, Wang H, Stwalley WC
7989 - 7994 Dissociative electron attachment study to nitromethane
Sailer W, Pelc A, Matejcik S, Illenberger E, Scheier P, Mark TD
7995 - 8003 Application of the integral encounter theory to the description of degenerate electron exchange reactions
Doktorov AB, Ivanov KL, Lukzen NN, Morozov VA
8004 - 8007 Critical chain dynamics near the interdigitated-noninterdigitated chain configurational phase transition in decylammonium chloride
Lee KW, Oh DK, Lee CE, Kang JK, Lee CH, Kim J
8008 - 8020 Covalency in the uranyl ion: A polarized x-ray spectroscopic study
Denning RG, Green JC, Hutchings TE, Dallera C, Tagliaferri A, Giarda K, Brookes NB, Braicovich L
8021 - 8029 Dynamics of water molecules in an alkaline environment
Nienhuys HK, Lock AJ, van Santen RA, Bakker HJ
8030 - 8035 On the existence of non-nuclear maxima in simple metals
Madsen GKH, Blaha P, Schwarz K
8036 - 8041 Capillary condensation of nitrogen in MCM-41 and SBA-15
Morishige K, Ito M
8042 - 8049 Ostwald ripening with size-dependent rates: Similarity and power-law solutions
Madras G, McCoy BJ
8050 - 8062 Spontaneous orientational order in confined dipolar fluid films
Klapp SHL, Schoen M
8063 - 8073 The competition between hydrogen bonding and chemical change in carbohydrate nanoparticles
Jetzki M, Signorell R
8074 - 8079 On the electrical double layer contribution to the interfacial tension of protein crystals
Sear RP, Warren PB
8080 - 8088 Effect of surface phosphorus on the oxidative dehydrogenation of ethane: A first-principles investigation
Maiti A, Govind N, Kung P, King-Smith D, Miller JE, Zhang C, Whitwell G
8089 - 8094 Interactions of functionalized carbon nanotubes with tethered pyrenes in solution
Qu LW, Martin RB, Huang WJ, Fu KF, Zweifel D, Lin Y, Sun YP, Bunker CE, Harruff BA, Gord JR, Allard LF
8095 - 8103 Effective medium theories in surface enhanced infrared spectroscopy: The pentacene example
Ross D, Aroca R
8104 - 8109 Spectral and spatial anisotropy of the oxide growth on Ru(0001)
Bottcher A, Starke U, Conrad H, Blume R, Niehus H, Gregoratti L, Kaulich B, Barinov A, Kiskinova M
8110 - 8123 Surface phase transformation kinetics: A geometrical model for thin films of nonvolatile and volatile solids
Safarik DJ, Mullins CB
8124 - 8129 A small-angle neutron scattering investigation of the structure of highly swollen block copolymer micelles
Castelletto V, Hamley IW, Pedersen JS
8130 - 8137 Fusion and toroidal formation of vesicles by mechanical forces: A Brownian dynamics simulation
Noguchi H
8138 - 8152 Effective charge saturation in colloidal suspensions
Bocquet L, Trizac E, Aubouy M
8153 - 8161 Microstructural study of mechanical properties of the ABA triblock copolymer using self-consistent field and molecular dynamics
Aoyagi T, Honda T, Doi M
8162 - 8163 Comment on "Observations on an equation of state for water confined in narrow slit-pores" [J. Chem. Phys. 116, 2565 (2002)]
Truskett TM, Debenedetti PG, Torquato S
8164 - 8165 Response to "Comment on'Observations on an equation of state for water confined in narrow slit-pores' " [J. Chem. Phys. 117, 8162 (2002)]
Giaya A, Thompson RW
8166 - 8166 A hydrodynamic theory for solutions of nonhomogeneous nematic liquid crystalline polymers of different configurations (vol 116, pg 9120, 2002)
Wang Q