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Publisher: Taylor and Francis Ltd

Volume 104, Numbers 13-14, -14/10 July-20 July 2006
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Potential energy and transition dipole moment functions of †
pp. 1999-2005(7)
Authors: S˘edivcová, T.; S˘pirko, V.

Ring puckering of cyclooctatetraene and cyclohexane is induced by pseudo-Jahn-Teller coupling
pp. 2007-2010(4)
Authors: Blancafort, LluÍs; Bearpark, Michael J.; Robb, Michael A.

Polarizabilities and second hyperpolarizabilities of Zn m Cd n clusters
pp. 2027-2036(10)
Authors: Papadopoulos, M. G.; Reis, H.; Avramopoulos, A.; Erkoç, Ş; Amirouche§, L.

The high-rank Hartree-Fock method as an averaging procedure†
pp. 2037-2046(10)
Authors: Surján, Péter R.; Tóth, Gábor

Electroabsorption spectra of linear porphyrin arrays - a model study†
pp. 2063-2071(9)
Authors: Stradomska, A.; Petelenz, P.

Kinetically balanced Dirac equation: properties and applications
pp. 2085-2092(8)
Authors: Stanke, Monika; Karwowski, Jacek; Tatewaki, Hiroshi

Model first principles molecular dynamics study on the fate of vibrationally excited states in liquid water
pp. 2093-2100(8)
Authors: Broclawik, E.; Shaikh, A. R.; Pei, Q.; Chiba, K.; Sasaki, Y.; Tsuboi, H.; Koyama, M.; Kubo, M.; Akutsu, K.; Hirota, M.; Kitada, M.; Hirata, H.; Miyamoto, A.

Nuclear magnetic resonance shielding constants in XH 4 group XIV hydrides§
pp. 2139-2148(10)
Authors: Jaszuński, Michał; Ruud, Kenneth

Two new classes of non-iterative coupled-cluster methods derived from the method of moments of coupled-cluster equations
pp. 2149-2172(24)
Authors: Łoch, Marta W.; Lodriguito, Maricris D.; Piecuch†, Piotr; Gour, Jeffrey R.

Optically induced circular and axial birefringences in achiral fluids: an ab initio study of the optical Faraday effect
pp. 2173-2192(20)
Authors: Baranowska, Angelika; Rizzo, Antonio; Coriani, Sonia

Theoretical study of the A state of helium dimer†
pp. 2193-2202(10)
Author: Komasa, Jacek

Theoretical insights into catalysis by phosphonoacetaldehyde hydrolase§
pp. 2203-2211(9)
Authors: Szefczyk, Borys; Kedzierski, Paweł; Sokalski, W.Andrzej

Ab initio asymptotic-expansion coefficients for pair energies in MP2 perturbation theory for atoms
pp. 2213-2223(11)
Authors: Jankowski, Karol; SŁupski, Romuald; Flores, Jesus R.

Quasirelativistic theory I. Theory in terms of a quasi-relativistic operator
pp. 2225-2240(16)
Authors: Kutzelnigg, Werner; Liu, Wenjian

Portable parallel implementation of symmetry-adapted perturbation theory code
pp. 2241-2262(22)
Authors: Bukowski, Robert; Cencek, Wojciech; Patkowski, Konrad; Jankowski, Piotr; Jeziorska, MałGorzata; Kołaski¶, Maciej; Szalewicz, Krzysztof

On the weak intermolecular interactions and their influence on the optical properties of unsaturated hydrocarbons. Part 1: Two-body interactions†
pp. 2263-2271(9)
Authors: Skwara, B.; Bartkowiak, W.; Góra, R. W.; Niewodniczański, W.; Roszak, S.

Configuration interaction study of the positronic hydrogen cyanide molecule†
pp. 2273-2276(4)
Authors: Chojnacki, Henryk; Strasburger, Krzysztof

Optimized virtual orbitals for relativistic calculations: an alternative approach to the basis set construction for correlation calculations†
pp. 2277-2292(16)
Authors: Piton˘ák, Michal; Neogrády, Pavel; Kellö, VladimÍr; Urban, Miroslav

Fitting the derivative surfaces for full-dimensional interaction potentials†
pp. 2293-2302(10)
Authors: Jankowski, Piotr; Ziółkowski, Marcin

Proton bound open shell systems - theoretical studies on O 2 H + (O 2 ) n (n=1-6) complexes¶
pp. 2327-2336(10)
Authors: Szymczak, J. J.; Gora, R. W.; Roszak, S.; Majumdar, D.; Wang, J.; Grabowski, S. J.; Leszczynski, J.

On the role of high excitations in the intermolecular potential of H 2 -CO
pp. 2337-2345(9)
Authors: Noga, Jozef; Kállay, Mihály; Valiron, Pierre

Addition of hydrogen atom/hydride anion to the double bonds of cytosine tautomers: radical and anion structures and energetics
pp. 2347-2366(20)
Authors: Zhang, J. D.; Xie, Y.; Schaefer, H. F.; Luo, Q.; Li, Q.-S.

Hidden symmetry in Fermi-contact NMR spin-spin coupling constants
pp. 2403-2411(9)
Authors: Perera, S. Ajith; Bartlett, Rodney J.

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