Journal of Chemical Physics

Journal of Chemical Physics, Vol.114, No.18 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (60 articles)

7723 - 7726	Evidence for electric field-assisted back-electron transfer through a methylene bond in a linked compound of phenanthrene and phthalimide in a polymer film Kawabata H, Ohta N, Arakawa H, Ashida M, Kohtani S, Nakagaki R
7727 - 7730	Intermediate reactions in solid-state photolysis Khriachtchev L, Pettersson M, Lundell J, Rasanen M
7731 - 7735	Generalized tight-binding molecular dynamics scheme for heteroatomic systems: Application to SimCn clusters Menon M
7736 - 7745	Dissipation in media with memory: A master equation in the statistical resonance approximation Wilkie J
7746 - 7752	Static electrical response properties of F-, Ne, and HF using explicitly correlated R12 coupled cluster approach Franke R, Muller H, Noga J
7753 - 7760	A multipole second order Moller-Plesset solvent reaction field method Nielsen CB, Mikkelsen KV, Sauer SPA
7761 - 7769	Entropy and entropy production of finite chemical reaction systems influenced by Gaussian noise Zhao NR, Luo JL
7770 - 7777	Solution of the radial Schrodinger equation in cylindrical and spherical coordinates by mapped Fourier transform algorithms Borisov AG
7778 - 7789	A semiclassical limit for the mapping Hamiltonian approach to electronically nonadiabatic dynamics Bonella S, Coker DF
7790 - 7794	Soft pseudopotentials for efficient quantum Monte Carlo calculations: From Be to Ne and Al to Ar Ovcharenko I, Aspuru-Guzik A, Lester WA
7795 - 7804	Electronic excited-state wave functions for quantum Monte Carlo: Application to silane and methane Porter AR, Al-Mushadani OK, Towler MD, Needs RJ
7805 - 7815	Analytical investigations of an electron-water molecule pseudopotential. I. Exact calculations on a model system Turi L, Gaigeot MP, Levy N, Borgis D
7816 - 7829	The role of exchange and correlation in time-dependent density-functional theory for photoionization Stener M, Decleva P, Gorling A
7830 - 7837	Photodissociation of D2O at 121.6 nm: A state-to-state dynamical picture Harich SA, Yang XF, Hwang DWH, Lin JJ, Yang XM, Dixon RN
7838 - 7847	The influence of collision and vibrational energy on the reaction of CH3CHO+ with acetylene Kim HT, Liu JB, Anderson SL
7848 - 7852	Structure of ammonia clusters from n=3 to 18 Beu TA, Buck U
7853 - 7858	Vibrational spectra of ammonia clusters from n=3 to 18 Beu TA, Buck U
7859 - 7865	Relabeling and classification of the Rydberg states Li J, Liu YM, Dai XC, Li L, Field RW
7866 - 7876	Mode dependent intracluster vibrational energy redistribution rate in size-selected benzonitrile-(CHCl3)(n=1-3) clusters Yamamoto R, Ebata T, Mikami N
7877 - 7885	M+/Rg bonding: The effects of M+ permanent quadrupole moments (M+= atomic metal ion; Rg=rare gas atom) Burns KL, Bellert D, Leung AWK, Breckenridge WH
7886 - 7900	Predissociation of Rydberg states of CO investigated by the detection of atomic fragments Okazaki A, Ebata T, Mikami N
7901 - 7910	Calculation of rovibrational states of weakly bound complexes by transformation from an Eckart frame: Benzene-N-2 Felker PM
7911 - 7917	Another look at the electron attachment to nitrous oxide Kryachko ES, Vinckier C, Nguyen MT
7918 - 7922	The A(3)Sigma(-)-X-3 Sigma(-) electronic transition of HC6N Vaizert O, Motylewski T, Wyss M, Riaplov E, Linnartz H, Maier JP
7923 - 7934	Dipole moments of highly vibrationally excited HCN: Theoretical prediction of an experimental diagnostic for delocalized states Bowman JM, Irle S, Morokuma K, Wodtke A
7935 - 7940	Theoretical study of first-row transition metal oxide cations Nakao Y, Hirao K, Taketsugu T
7941 - 7950	Energy- and angle-resolved pump-probe femtosecond photoelectron spectroscopy: Molecular rotation Arasaki Y, Takatsuka K, Wang K, McKoy V
7951 - 7961	Distributed polarizability of the water dimer: Field-induced charge transfer along the hydrogen bond Panhuis MIH, Popelier PLA, Munn RW, Angyan JG
7962 - 7968	Low-energy dissociative electron attachment to BrCN and CBrCl3: Temperature dependences and reaction dynamics Parthasarathy R, Suess L, Hill SB, Dunning FB
7969 - 7975	Predicted predissociation linewidths in the Schumann-Runge bands of O-2 compared with recent high resolution measurements Tong GSM, Cheung ASC, Jamieson MJ
7976 - 7979	Origin of the first sharp diffraction peak in the structure factor of disordered network-forming systems: Layers or voids? Massobrio C, Pasquarello A
7980 - 7988	Application of the Wolf method for the evaluation of Coulombic interactions to complex condensed matter systems: Aluminosilicates and water Demontis P, Spanu S, Suffritti GB
7989 - 7992	Needlelike motion of prolate ellipsoids in the sea of spheres Vasanthi R, Ravichandran S, Bagchi B
7993 - 8007	Racemic fluids of hard molecules Vatamanu J, Cann NM
8008 - 8019	Influence of intramolecular vibrations in third-order, time-domain resonant spectroscopies. I. Experiments Larsen DS, Ohta K, Xu QH, Cyrier M, Fleming GR
8020 - 8039	Influence of intramolecular vibrations in third-order, time-domain resonant spectroscopies. II. Numerical calculations Ohta K, Larsen DS, Yang M, Fleming GR
8040 - 8047	Femtosecond vibrational-electronic four-wave-mixing spectroscopy Cho MH
8048 - 8055	Does fragility depend on pressure? A dynamic light scattering study of a fragile glass-former Paluch M, Gapinski J, Patkowski A, Fischer EW
8056 - 8063	Structural characterization of NaOH aqueous solution in the glass and liquid states Bruni F, Ricci MA, Soper AK
8064 - 8067	An effective pair potential for heavy water Grigera JR
8068 - 8081	The dynamical structure factor in topologically disordered systems Martin-Mayor V, Mezard M, Parisi G, Verrocchio P
8082 - 8090	The structure of liquid tetrachlorides CCl4, SiCl4, GeCl4, TiCl4, VCl4, and SnCl4 Jovari P, Meszaros G, Pusztai L, Svab E
8091 - 8104	Simulative determination of kinetic coefficients for nucleation rates Schaaf P, Senger B, Voegel JC, Bowles RK, Reiss H
8105 - 8112	Infrared-induced nonlinear optical effects in chalcogenide glasses Kityk IV, Sahraoui B
8113 - 8118	Insight into electron-mediated reaction mechanisms: Catalytic CO oxidation on a ruthenium surface Zhang CJ, Hu P, Alavi A
8119 - 8123	Investigating individual chromopores within single porous silicon nanoparticles Mason MD, Sirbuly DJ, Carson PJ, Buratto SK
8124 - 8131	Forces between polystyrene surfaces in water-electrolyte solutions: Long-range attraction of two types? Vinogradova OI, Yakubov GE, Butt HJ
8132 - 8138	Caging of I-2 in deca-dodecasil 3R: Pump-probe experiments and molecular dynamics modeling Ermoshin VA, Flachenecker G, Materny A, Engel V
8139 - 8144	Influence of orientational ordering transition on diffusion of carbon dioxide in carbon nanopores Papadopoulos GK
8145 - 8153	Effect of solvent quality on polyelectrolyte adsorption at an oppositely charged surface Dobrynin AV
8154 - 8158	Monte Carlo update for chain molecules: Biased Gaussian steps in torsional space Favrin G, Irback A, Sjunnesson F
8159 - 8164	Analysis of the elastic deformation of semicrystalline poly(trimethylene terephthalate) by the atomistic-continuum model Yang JS, Jo WH
8165 - 8173	Cylinder <-> sphere epitaxial transitions in block copolymer melts Matsen MW
8174 - 8180	Phase separation of binary homopolymer and ternary homopolymer-copolymer mixtures through Gibbs ensemble simulations Poncela A, Rubio AM, Freire JJ
8181 - 8195	Monte Carlo and numerical self-consistent field study of systems with end-grafted and free polymers in good solvent Pepin MP, Whitmore MD
8196 - 8204	Oriented growth of n-alkanes crystals on nanostructured poly(tetrafluoroethylene) substrates Damman P, Fischer C, Kruger JK
8205 - 8209	A simple model for baroplastic behavior in block copolymer melts Ruzette AVG, Banerjee P, Mayes AM, Russell TP
8210 - 8222	Determination of equilibrium pitch of cholesteric phases by isobaric-isothermal Monte Carlo simulation Memmer R
8223 - 8225	An alternative derivation of the equation for small angle scattering from pores with fuzzy interfaces McMahon PJ, Snook I, Smith E
8226 - 8227	Irreducible Brillouin conditions and contracted Schrodinger equations for n-electron systems. I. The equations satisfied by the density cumulants (vol 114, pg 2047, 2001) Mukherjee D, Kutzelnigg W