Investigating Diffusion Coefficient Using Dynamic Light Scattering Technique
Yong Sun · 2006
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Physical and Theoretical Chemistry
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Stability and proton exchange in Te(OH)6
S. P. Gabuda, S. G. Kozlova, V. V. Panov et al. · 2006
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Bijectivity of the Normalization and Fermi-Coulomb Hole Sum Rules for Approximate Wave Functions
Xiao-Yin Pan, Viraht Sahni, Lou Massa · 2005
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Site-site memory equation approach in study of density/pressure dependence of translational diffusion coefficient and rotational relaxation time of polar molecular solutions: acetonitrile in water, methanol in water, and methanol in acetonitrile
A. E. Kobryn, T. Yamaguchi, F. Hirata · J. Chem. Phys. 122 (2005) 184511 · 2005
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Development of a general equation of state for real molecules in arbitrary regimes of temperature and pressure: I. The hard-core reference system
J. F. Kenney, Richard J. Petti · 2005
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Accurate interaction energies from perturbation theory based on Kohn-Sham model
Rafał Podeszwa, Krzysztof Szalewicz · 2005
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MCSCF-DFT based on an interacting reference system
Shusuke Yamanaka, Koichi Kusakabe, Kazuto Nakata et al. · 2005
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Molecular dynamics study of molecular mobility in catenanes
Ye. V. Tourleigh, K. V. Shaitan · Defect and Diffusion Forum, vol. 237-240 (2005), 1174-1181 · 2005
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Arrow diagram method based on overlapping electronic groups: corrections to the linked AD theorem
Yu Wang, Lev Kantorovich · 2005
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Calculation of single-beam two-photon absorption rate of lanthanides: effective operator method and perturbative expansion
Chang-Kui Duan, Gang Ruan, Michael F. Reid · THE JOURNAL OF CHEMICAL PHYSICS 121, 8183-6 (2004) · 2005
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The correlation energy as an explicit functional of the one-particle density matrix from a determinantal reference state
James Finley · 2005
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Thermodynamic theory of kinetic overshoots
A. N. Gorban, G. S. Yablonsky · 2005
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Rationalization of pi(sigma) anti(aromaticity) in all metal molecular clusters
Ayan Datta, Swapan K. Pati · 2005
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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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