Chemistry

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Physical and Theoretical Chemistry

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The two electron molecular bond revisited: from Bohr orbits to two-center orbitals
Goong Chen, Siu A. Chin, Yusheng Dou et al. · Advances in Atomic, Molecular and Optical Physics, v. 51, Edited by H.H. Stroke, Elsevier (2005), pp. 93-238. · 2005
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Valence Shell Charge Concentrations at Pentacoordinate d0 Transition Metal Centers: Non-VSEPR Structures of Me2NbCl3 and Me3NbCl2
G. Sean McGrady, Arne Haaland, Hans Peter Verne et al. · 2005
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Tables of rovibronic term values for singlet electronic states of BH molecule
B. P. Lavrov, M. S. Ryazanov · 2005
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Proton-Pump Mechanism in Retinal Schiff Base: On the molecular structure of the M-state
Ayan Datta, Swapan K. Pati · 2005
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Density functional theoretical (DFT) study for the prediction of spectroscopic parameters of ClCCCN
Pradeep Risikrishna Varadwaj · 2005
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On Emerging Fields of Quantum Chemistry at Finite Temperature
Liqiang Wei · 2005
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Optimal molecular alignment and orientation through rotational ladder climbing
Julien Salomon, Claude M. Dion, Gabriel Turinici · J. Chem. Phys. 123, 144310 (2005) · 2005
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Enhanced dispersion interaction in confined geometry
Michal Marcovitch, Haim Diamant · Phys. Rev. Lett. 95, 223203 (2005) · 2005
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Computer-generated character tables and nuclear spin statistical weights: Application to benzene dimer and methane dimer
Roman Schmied, Kevin K. Lehmann · Journal of Molecular Spectroscopy 226 (2004) 201-202 · 2004
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Hole Scavenging and Photo-Stimulated Recombination of Electron-Hole Pairs in Aqueous TiO2 Nanoparticles
I. A. Shkrob, M. C. Sauer · 2004
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Using molecular similarity to construct accurate semiempirical electron structure theories
Benjamin G. Janesko, David Yaron · Journal of Chemical Physics, 121 (12), 5635-5645 (2004) · 2004
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Size Information Obtained by Using Static Light Scattering Technique
Yong Sun · 2004
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Nonlinear ac responses of electro-magnetorheological fluids
J. P. Huang, K. W. Yu · J. Chem. Phys. 121, 7526 (2004) · 2004
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Numerical Evaluation of Cuspoid and Bessoid Oscillating Integrals for Applications in Chemical Physics
J. N. L. Connor, C. A. Hobbs · Khimicheskaya Fizika, 2004, Volume 23, Number 2, pages 13-19 · 2004
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Extraction of Thermodynamic Data from Ternary Diffusion Coefficients of Lysozyme Chloride in Water and Aqueous Na$_2$SO$_4$
D. Buzatu, E. Petrescu, F. D. Buzatu et al. · 2004
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Thermodynamic derivation of reciprocal relations
Elias P. Gyftopoulos · 2004
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On dynamical tunneling and classical resonances
Srihari Keshavamurthy · 2004
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The conversion of nonlocal one-body operators into local ones: The Slater potential revisited
James P. Finley · 2004
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Broken-Symmetry Unrestricted Hybrid Density Functional Calculations on Nickel Dimer and Nickel Hydride
Cristian V. Diaconu, Art E. Cho, J. D. Doll et al. · J. Chem. Phys. 121, 10026 (2004) · 2004
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Measurements of Multicomponent Diffusion Coefficients for Lysozyme Chloride in Water and Aqueous Na$_2$SO$_4$
D. Buzatu, E. Petrescu, F. D. Buzatu et al. · 2004
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