Works matching IS 16102940 AND DT 2007 AND VI 13 AND IP 9
Results: 10
Comment on “numerical treatment of two-center overlap integrals”.
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- Journal of Molecular Modeling, 2007, v. 13, n. 9, p. 949, doi. 10.1007/s00894-007-0224-5
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Aromaticity and electronic properties of Heterosuperbenzene (Heterohexabenzocoronene).
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- Journal of Molecular Modeling, 2007, v. 13, n. 9, p. 1027, doi. 10.1007/s00894-007-0223-6
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The platinum-olefin binding energy in series of (PH<sub>3</sub>)<sub>2</sub>Pt(olefin) complexes - a theoretical study.
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- Journal of Molecular Modeling, 2007, v. 13, n. 9, p. 1009
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On the relative stabilities of the alkali cations 222 cryptates in the gas phase and in water-methanol solution.
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- Journal of Molecular Modeling, 2007, v. 13, n. 9, p. 1017
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- Article
Investigation of the intermolecular proton transfer in the supersystems adenine-methanol/ethanol/i-propanol: MP2 and DFT levels study.
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- Journal of Molecular Modeling, 2007, v. 13, n. 9, p. 1001, doi. 10.1007/s00894-007-0226-3
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- Article
3D-QSAR studies on fluoropyrrolidine amides as dipeptidyl peptidase IV inhibitors by CoMFA and CoMSIA.
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- Journal of Molecular Modeling, 2007, v. 13, n. 9, p. 993, doi. 10.1007/s00894-007-0221-8
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- Article
Calculations of the C<sub>2</sub> fragmentation energies of higher fullerenes C<sub>80</sub> and C<sub>82</sub>.
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- Journal of Molecular Modeling, 2007, v. 13, n. 9, p. 981
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- Article
Docking studies on kinesin spindle protein inhibitors: an important cooperative ‘minor binding pocket’ which increases the binding affinity significantly.
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- Journal of Molecular Modeling, 2007, v. 13, n. 9, p. 987, doi. 10.1007/s00894-007-0219-2
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- Article
AM1* parameters for copper and zinc.
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- Journal of Molecular Modeling, 2007, v. 13, n. 9, p. 965, doi. 10.1007/s00894-007-0214-7
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- Article
QSPR modeling of hyperpolarizabilities.
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- Journal of Molecular Modeling, 2007, v. 13, n. 9, p. 951, doi. 10.1007/s00894-007-0209-4
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- Article