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Electric Polarizability and Hyperpolarizability of the Copper Tetramer (Cu₄) from Ab Initio and Density Functional Theory Calculations

Authors: Maroulis, George; Haskopoulos, Anastasios

Source: Journal of Computational and Theoretical Nanoscience, Volume 6, Number 2, February 2009 , pp. 418-427(10)

Publisher: American Scientific Publishers

Theoretical characterization of the HSOH, H2SO and H2OS isomers

Author: Denis, Pablo

Source: Molecular Physics, Volume 106, Numbers 21-23, November 2008 , pp. 2557-2567(11)

Publisher: Taylor and Francis Ltd

Quantitative quantum chemistry

Authors: Helgaker, Trygve; Klopper, Wim; Tew, David

Source: Molecular Physics, Volume 106, Numbers 16-18, August 2008 , pp. 2107-2143(37)

Publisher: Taylor and Francis Ltd

The accuracy of local MP2 methods for conformational energies

Authors: Kaminsky, Jakub; Mata, Ricardo; Werner, Hans-Joachim; Jensen, Frank

Source: Molecular Physics, Volume 106, Number 15, August 2008 , pp. 1899-1906(8)

Publisher: Taylor and Francis Ltd

Many-body Brillouin-Wigner second-order perturbation theory: an application to the autoaromatisation of hex-3-ene-1,5-diyne (the Bergman reaction)

Authors: Papp, P.; Neogrady, P.; Mach, P.; Pittner, J.; Hubac˘, I.; Wilson, S.

Source: Molecular Physics, Volume 106, Number 1, January 2008 , pp. 57-74(18)

Publisher: Taylor and Francis Ltd

Core-valence correlation consistent basis sets for second-row atoms (Al-Ar) revisited

Authors: Yockel, Scott; Wilson, Angela

Source: Theoretical Chemistry Accounts, Volume 120, Numbers 1-3, May 2008 , pp. 119-131(13)

Publisher: Springer

Trait patterns of aquatic insects across gradients of flow-related factors: a multivariate analysis of Canadian national data

Authors: Horrigan, Nelli; Baird, Donald J.

Source: Canadian Journal of Fisheries and Aquatic Sciences, Volume 65, Number 4, 1 April 2008 , pp. 670-680(11)

Publisher: NRC Research Press

Correlated Linear Response Calculations of the C₆ Dispersion Coefficients of Hydrogen Halides

Authors: Sauer, Stephan P.A.; Paidarová, Ivana

Source: Computing Letters, Volume 3, Numbers 2-4, 2007 , pp. 399-421(23)

Publisher: VSP, an imprint of Brill

The group 12 metal chalcogenides: an accurate multireference configuration interaction and coupled cluster study

Authors: Peterson, K. A.; Shepler, B. C.; Singleton, J. M.

Source: Molecular Physics, Volume 105, Number 9, May 2007 , pp. 1139-1155(17)

Publisher: Taylor and Francis Ltd

Calibration of Probe Volume in Fluorescence Correlation Spectroscopy

Authors: Gao, Yi; Zhong, Zhenming; Geng, Lei M.

Source: Applied Spectroscopy, Volume 61, Issue 9, Pages 183A-208A and 909-1024 (September 2007) , pp. 956-962(7)

Publisher: Society for Applied Spectroscopy

Impedance-admittance regression analysis of magnetotelluric fields

Author: Moskovskaya, L.

Source: Izvestiya, Physics of the Solid Earth, Volume 43, Number 2, February 2007 , pp. 148-160(13)

Publisher: MAIK Nauka/Interperiodica

Quasirelativistic energy-consistent 5f-in-core pseudopotentials for trivalent actinide elements

Authors: Moritz, Anna; Cao, Xiaoyan; Dolg, Michael

Source: Theoretical Chemistry Accounts, Volume 117, Number 4, April 2007 , pp. 473-481(9)

Publisher: Springer

Perturbation expansion theory corrected from basis set superposition error II. Charge transfer, pair correlationand dispersion terms

Authors: Iwata, Suehiro; Nagata, Takeshi

Source: Theoretical Chemistry Accounts, Volume 117, Number 1, January 2007 , pp. 137-144(8)

Publisher: Springer

Structure and Polarizability of Small (GaAs)_n Clusters (n= 2, 3, 4, 5, 6, and 8)

Authors: Karamanis, P.; Begué, D.; Pouchan, C.

Source: Computing Letters, Volume 2, Number 4, 2006 , pp. 255-258(4)

Publisher: VSP, an imprint of Brill

Optically induced circular and axial birefringences in achiral fluids: an ab initio study of the optical Faraday effect

Authors: Baranowska, Angelika; Rizzo, Antonio; Coriani, Sonia

Source: Molecular Physics, Volume 104, Numbers 13-14, -14/10 July-20 July 2006 , pp. 2173-2192(20)

Publisher: Taylor and Francis Ltd

On the role of high excitations in the intermolecular potential of H 2 -CO

Authors: Noga, Jozef; Kállay, Mihály; Valiron, Pierre

Source: Molecular Physics, Volume 104, Numbers 13-14, -14/10 July-20 July 2006 , pp. 2337-2345(9)

Publisher: Taylor and Francis Ltd

On the Electric Dipole (hyper)polarizability of Difluorodiacetylene (F-C≡C-C≡C-F)

Author: Maroulis, G.

Source: Computing Letters, Volume 2, Numbers 1-2, 2006 , pp. 15-19(5)

Publisher: VSP, an imprint of Brill

Theoretical study of structures of the X₂CO and XYCO molecules (X and Y = H, F, or Cl) in the ground and lowest excited triplet electronic states

Authors: Bokarev, S.; Dolgov, E.; Godunov, I.

Source: Russian Chemical Bulletin, Volume 54, Number 12, December 2005 , pp. 2714-2725(12)

Publisher: Springer

Correlates of Reflective Practice in Medicine

Authors: Mamede, Sílvia; Schmidt, Henk

Source: Advances in Health Sciences Education, Volume 10, Number 4, November 2005 , pp. 327-337(11)

Publisher: Springer

Experimental and calculated momentum densities for the complete valence orbitals of the antimicrobial agent diacetyl

Authors: Guo-Lin, Su; Xue-Guang, Ren; Shu-Feng, Zhang; Chuan-Gang, Ning; Hui, Zhou; Bin, Li; Gui-Qin, Li; Jing-Kang, Deng

Source: Chinese Physics, Volume 14, Number 10, October 2005 , pp. 1966-1973(8)

Publisher: Institute of Physics Publishing