Journal of Chemical Physics

Journal of Chemical Physics, Vol.118, No.15 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (48 articles)

6713 - 6716	Physical basis of fragility Bendler JT, Fontanella JJ, Shlesinger MF
6717 - 6719	Mechanism for ultrafast internal conversion of adenine Kang H, Jung B, Kim SK
6720 - 6724	Matching-pursuit for simulations of quantum processes Wu YH, Batista VS
6725 - 6732	Density functional theory based effective fragment potential method Adamovic I, Freitag MA, Gordon MS
6733 - 6740	Effective Hamiltonians for the nonorthogonal basis set de Andrade PCP, Freire JA
6741 - 6750	Analytic energy derivatives for regular approximations of relativistic effects applicable to methods with and without correlation corrections Filatov M, Cremer D
6751 - 6757	Closed loop learning control to suppress the effects of quantum decoherence Zhu WS, Rabitz H
6758 - 6768	NMR shieldings from sum-over-states density-functional-perturbation theory: Further testing of the "Loc.3" approximation Fadda E, Casida ME, Salahub DR
6769 - 6783	Analysis of the multireference state-universal coupled-cluster Ansatz Paldus J, Li XZ
6784 - 6800	General formulation of locally designed coherent control theory for quantum system Sugawara M
6801 - 6805	Rho-axis-system Hamiltonian for molecules with one large amplitude internal motion Szalay V, Csaszar AG, Santos J, Ortigoso J
6806 - 6815	Stereographic projections path integral in S-1 and (S-2)(m) manifolds Russo MF, Curotto E
6816 - 6829	Extension of the fourfold way for calculation of global diabatic potential energy surfaces of complex, multiarrangement, non-Born-Oppenheimer systems: Application to HNCO(S-0,S-1) Nakamura H, Truhlar DG
6830 - 6845	Correlated and gauge invariant calculations of nuclear magnetic shielding constants using the continuous transformation of the origin of the current density approach Ligabue A, Sauer SPA, Lazzeretti P
6846 - 6851	Local energy equation for two-electron atoms and relation between kinetic energy and electron densities March NH
6852 - 6857	Accurate quantum mechanical calculation for the N+OH reaction Chen MD, Tang BY, Han KL, Lou NQ, Zhang JZH
6858 - 6867	Excited states of beryllium isoelectronic series from explicitly correlated wave functions Galvez FJ, Buendia E, Sarsa A
6868 - 6873	A theoretical study of the NiO2 species Deng K, Yang JL, Zhu QS
6874 - 6883	Electronic structure of the trimethylenemethane diradical in its ground and electronically excited states: Bonding, equilibrium geometries, and vibrational frequencies Slipchenko LV, Krylov AI
6884 - 6897	Structures and properties the lead-doped carbon clusters PbCn/PbCn+/PbCn- (n=1-10) Li GL, Xing XP, Tang ZC
6898 - 6904	First principles prediction of isotopic shifts in H2O Schwenke DW
6905 - 6914	Photodissociation spectroscopy of Ca+-formaldehyde Lu WY, Wong TH, Sheng Y, Kleiber PD
6915 - 6922	Amide I modes in the N-methylacetamide dimer and glycine dipeptide analog: Diagonal force constants Ham S, Cho M
6923 - 6929	Femtosecond dynamics of solvated oxygen anions. I. Bifurcated electron transfer dynamics probed by photoelectron spectroscopy Paik DH, Kim NJ, Zewail AH
6930 - 6940	Femtosecond dynamics of solvated oxygen anions. II. Nature of dissociation and caging in finite-sized clusters Kim NJ, Paik DH, Zewail AH
6941 - 6945	Quasi-classical trajectory study of H-2 elimination in the photodissociation of difluoroethylenes at 193 nm Vazquez SA, Aoiz FJ, Banares L, Santamaria J, Martinez-Nunez E, Fernandez-Ramos A
6946 - 6956	A finite basis representation Lanczos calculation of the bend energy levels of methane Wang XG, Carrington T
6957 - 6963	Raman spectroscopic investigation of small matrix-isolated lithium clusters Kornath A, Kaufmann A, Zoermer A, Ludwig R
6964 - 6973	Molecular orbital study of mechanisms of the reactions of alkyl bromides with O(P-3) atoms Stevens JE, Kaufman MS, Morokuma K
6974 - 6988	Glass and polycrystal states in a lattice spin model Cavagna A, Giardina I, Grigera TS
6989 - 6996	Entropy and thermalization of particles in liquids Osorio-Gonzalez D, Mayorga M, Orozco J, Romero-Salazar L
6997 - 7004	Selective cross-polarization in solution state nuclear magnetic resonance of scalar coupled spin 1/2 and quadrupolar nuclei Eykyn TR, Philp DJ, Kuchel PW
7005 - 7011	Mean-field theory of ice phase stability Woo HJ, Monson PA
7012 - 7045	Understanding and predicting the temporal response of laser-induced incandescence from carbonaceous particles Michelsen HA
7046 - 7061	Ordering of apolar and polar solutes in nematic solvents Dingemans T, Photinos DJ, Samulski ET, Terzis AF, Wutz C
7062 - 7073	A comparative study of the hydration of Na+ and K+ with refined polarizable model potentials Carrillo-Tripp M, Saint-Martin H, Ortega-Blake I
7074 - 7080	Vibrational energy relaxation of aqueous azide ion confined in reverse micelles Zhong Q, Baronavski AP, Owrutsky JC
7081 - 7089	Combining density-functional calculations with kinetic models: NO/Rh(111) Hermse CGM, Frechard F, van Bavel AP, Lukkien JJ, Niemantsverdriet JW, van Santen RA, Jansen APJ
7090 - 7096	Surface induced dissociations of protonated ethanol monomer, dimer and trimer ions: Trimer break-down graph from the collision energy dependence of projectile fragmentation Mair C, Lezius M, Herman Z, Mark TD
7097 - 7102	Multi-scale scanning tunneling microscopy imaging of self-organized regioregular poly(3-hexylthiophene) films Grevin B, Rannou P, Payerne R, Pron A, Travers JP
7103 - 7111	A theoretical model of the static polarizability of carbon buckyonions Iglesias-Groth S, Ruiz A, Breton J, Llorente JMG
7112 - 7118	Polymer translocation through a long nanopore Slonkina E, Kolomeisky AB
7119 - 7126	Picosecond conformational relaxation of singlet excited polyfluorene in solution Dias FB, Macanita AL, de Melo JS, Burrows HD, Guntner R, Scherf U, Monkman AP
7127 - 7140	Theory of sequence-dependent DNA elasticity Coleman BD, Olson WK, Swigon D
7141 - 7143	Photoionization threshold shapes of metal clusters Wong K, Kresin VV
7144 - 7145	Photodissociation of vibrationally excited ammonia: Rotational excitation in the NH2 product Bach A, Hutchison JM, Holiday RJ, Crim FF
7146 - 7147	Diffusivity in periodic arrays of spherical cavities Berezhkovskii AM, Zitserman VY, Shvartsman SY
7148 - 7148	No'delayed' muonium-formation in organic liquids (vol 118, pg 3233, 2003 Walker DC, Karolczak S, Porter GB, Gillis HA