Journal of Chemical Physics

Journal of Chemical Physics, Vol.121, No.9 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (56 articles)

3949 - 3951	Quantum amplifier: Measurement with entangled spins Lee JS, Khitrin AK
3952 - 3963	Calculation of current densities using gauge-including atomic orbitals Juselius J, Sundholm D, Gauss J
3964 - 3972	Simple minimum principle to derive a quantum-mechanical/molecular-mechanical method Yasuda K, Yamaki D
3973 - 3983	Quantum corrections to classical time-correlation functions: Hydrogen bonding and anharmonic floppy modes Ramirez R, Lopez-Ciudad T, Kumar P, Marx D
3984 - 3988	Path integral approach to Brownian motion driven with an ac force Chen LY, Nash PL
3989 - 3999	A quantum chemical approach to the free energy calculations in condensed systems: The QM/MM method combined with the theory of energy representation Takahashi H, Matubayasi N, Nakahara M, Nitta T
4000 - 4013	A field theoretical approach to calculate electronic Born-Oppenheimer coupling terms Vertesi T, Vibok A, Halasz GJ, Baer M
4014 - 4032	Theoretical study of the electronic states of Nb-4, Nb-5 clusters and their anions (Nb-4(-),Nb-5(-)) Majumdar D, Balasubramanian K
4033 - 4042	Potential energy constrained molecular dynamics simulations Rapallo A
4043 - 4049	A quasidegenerate formulation of the second order n-electron valence state perturbation theory approach Angeli C, Borini S, Cestari M, Cimiraglia R
4050 - 4058	New recurrence relations for the rapid evaluation of electron repulsion integrals based on the accompanying coordinate expansion formula Kobayashi M, Nakai H
4059 - 4067	Efficient formulation of the stochastic simulation algorithm for chemically reacting systems Cao Y, Li H, Petzold L
4068 - 4082	The extended Perdew-Burke-Ernzerhof functional with improved accuracy for thermodynamic and electronic properties of molecular systems Xu X, Goddard WA
4083 - 4088	Linear response time-dependent density functional theory for van der Waals coefficients Chu X, Dalgarno A
4089 - 4096	Demonstration of the combination of slice imaging and Rydberg tagging for studies of photodissociation dynamics Cruse HA, Softley TP
4097 - 4104	Multipole-bound states of succinonitrile and other dicarbonitriles Sommerfeld T
4105 - 4116	Quantum and classical studies of vibrational motion of CH5+ on a global potential energy surface obtained from a novel ab initio direct dynamics approach Brown A, McCoy AB, Braams BJ, Jin Z, Bowman JM
4117 - 4122	Calculation of the transport properties of carbon dioxide. III. Volume viscosity, depolarized Rayleigh scattering, and nuclear spin relaxation Bock S, Bich E, Vogel E, Dickinson AS, Vesovic V
4123 - 4126	Theoretical studies on the electronic structure of Ti8C12 isomers Deng K, Duan WH, Gu BL
4127 - 4132	Multiconfigurational second-order perturbation study of the decomposition of the radical anion of nitromethane Arenas JF, Otero JC, Pelaez D, Soto J, Serrano-Andres L
4133 - 4142	Intense-field modulation of NO2 multiphoton dissociation dynamics Schmidt TW, Lopez-Martens RB, Roberts G
4143 - 4155	Electron propagator theory calculations of molecular photoionization cross sections: The first-row hydrides Seabra GM, Kaplan IG, Zakraewski VG, Ortiz JV
4156 - 4163	An ab initio potential energy surface and vibrational states of MgH2(1(1)A') Li H, Xie DQ, Guo H
4164 - 4170	New electromc spectra of the HCCl and DCCl (A)over-tilde-(X)over-tilde vibronic bands Lin CS, Chen YE, Chang BC
4171 - 4174	Quadrupole and octupole polarizabilities for the ground states of lithiumlike systems from Z=3 to 20 Chen C, Wang ZW
4175 - 4179	Hydrogen loss from nucleobase nitrogens upon electron attachment to isolated DNA and RNA nucleotide anions Liu B, Hvelplund P, Nielsen SB, Tomita S
4180 - 4192	Lnteraction potentials and rovibrational spectroscopy of He-N-OCS complexes Paesani F, Whaley KB
4193 - 4202	Low-temperature nucleation in a kinetic Ising model under different stochastic dynamics with local energy barriers Buendia GM, Rikvold PA, Park K, Novotny MA
4203 - 4209	The behavior of fluids near solutes: A density functional theory and computer simulation study Reddy G, Yethiraj A
4210 - 4220	Density functional theory for semiflexible and cyclic polyatomic fluids Cao DP, Wu JZ
4221 - 4236	Phase-stabilized two-dimensional electronic spectroscopy Brixner T, Mancal T, Stiopkin IV, Fleming GR
4237 - 4245	On the mechanism of reorientational and structural relaxation in supercooled liquids: The role of border dynamics and cooperativity Kim J, Keyes T
4246 - 4254	Dynamical density functional theory and its application to spinodal decomposition Archer AJ, Evans R
4255 - 4265	Shape and motility of a model cell: A computational study Satyanarayana SVM, Baumgaertner A
4266 - 4275	Na-montmorillonite hydrates under ethane rich reservoirs: NPzzT and mu PzzT simulations Odriozola G, Aguilar JF, Lopez-Lemus J
4276 - 4283	A mode for the phase stability of arbitrary nanoparticles as a function of size and shape Barnard AS, Zapol P
4284 - 4291	Low-energy electron scattering cross section for the production of CO within solid films of carbon dioxide Deschamps MC, Michaud M, Sanche L
4292 - 4296	Molecular dynamics simulation of optically trapped colloidal particles at an oil-water interface Sun JZ, Stirner T
4297 - 4301	A vibronic approach to the band-filling and temperature-dependent metal-insulator transition Robert V
4302 - 4309	Ionic effect on combing of single DNA molecules. and observation of their force-induced melting by fluorescence microscopy Liu YY, Wang PY, Dou SX, Wang WC, Xie P, Yin HW, Zhang XD
4310 - 4315	Local-field effects on the spontaneous emission rate of CdTe and CdSe quantum dots in dielectric media Wuister SF, Donega CD, Meijerink A
4316 - 4322	Field theoretical approach to electrochemical deposition Taroco HA, Mota AL
4323 - 4330	Large-scale molecular dynamics simulations of alkanethiol self-assembled monolayers Vemparala S, Karki BB, Kalia RK, Nakano A, Vashishta P
4331 - 4338	Ammonia adsorption on and diffusion into thin ice films grown on Pt(111) Takaoka T, Inamura M, Yanagimachi S, Kusunoki I, Komeda T
4339 - 4345	Evidence from first principles calculations for a bent CO2 intermediate in the oxidation of carbon monoxide on the Cu(110) surface Liern SY, Clarke JHR
4346 - 4351	Solvent-driven dewetting and rim instability Lee SH, Yoo PJ, Kwon SJ, Lee HH
4352 - 4357	Lattice-gas modeling of CO adlayers on Pd(100) Liu DJ
4358 - 4363	Disjoining pressure measurements using a microfabricated groove for a molecularly thin polymer liquid film on a solid surface Fukuzawa K, Kawamura J, Deguchi T, Zhang HD, Mitsuya Y
4364 - 4376	Cranklike conformational transitions in polyethylene Nigro B, Di Stefano D, Rassu A, Moro GJ
4377 - 4388	Double proton transfer in the isolated and DNA-embedded guanine-cytosine base pair Zoete V, Meuwly M
4389 - 4396	Geometry, dipole moment, polarizability and first hyperpolarizability of polymethineimine: An assessment of electron correlation contributions Jacquemin D, Andre JM, Perpete EA
4397 - 4413	Field-induced alignment of a smectic-A phase: A time-resolved x-ray diffraction investigation Bras W, Emsley JW, Levine YK, Luckhurst GR, Seddon JM, Timimi BA
4414 - 4423	Capillary bridging and long-range attractive forces in a mean-field approach Andrienko D, Patricio P, Vinogradova OI
4424 - 4429	Counterion associative behavior with flexible polyelectrolytes Prabhu VM, Amis EJ, Bossev DP, Rosov N
4430 - 4440	Nematic-amorphous polymer interfaces in the presence of a compatibilizer Hamm M, Goldbeck-Wood G, Zvelindovsky AV, Fraaije JGEM
4441 - 4441	Tall molecule dependenceof thiolate adsorption on Au(111) surface: Theoretical study" [J.Chem. Phys. 121, 970 (2004)] Higai S, Nara J, Ohno T