Works matching IS 1432881X AND DT 2008 AND VI 121 AND IP 3/4
Results: 12
End-substitution effect on the geometry and electronic structure of oligoheterocyclics.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 121, n. 3/4, p. 109, doi. 10.1007/s00214-008-0454-3
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Theoretical study of N–H· · ·O hydrogen bonding properties and cooperativity effects in linear acetamide clusters.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 121, n. 3/4, p. 135, doi. 10.1007/s00214-008-0456-1
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Theoretical study of spectroscopic parameters of alkali -Al and alkaline earth-Al dimers.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 121, n. 3/4, p. 165, doi. 10.1007/s00214-008-0460-5
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Theoretical studies on the electronic structures and spectroscopic properties for a series of Osmium(II)-2,2′,6′,2′′-terpyridine complexes.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 121, n. 3/4, p. 123, doi. 10.1007/s00214-008-0455-2
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DFT and ab initio study on the reaction mechanism of CH<sub>2</sub>SH + O<sub>2</sub>.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 121, n. 3/4, p. 201, doi. 10.1007/s00214-008-0466-z
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ChelpG and QTAIM atomic charge and dipole models for the infrared fundamental intensities of the fluorochloromethanes.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 121, n. 3/4, p. 173, doi. 10.1007/s00214-008-0461-4
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Inverse hydrogen bonds between XeH<sub>2</sub> and hydride and fluoride derivatives of Li, Be, Na and Mg.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 121, n. 3/4, p. 181, doi. 10.1007/s00214-008-0462-3
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Evolution of class C β-lactamases: factors influencing their hydrolysis and recognition mechanisms.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 121, n. 3/4, p. 209, doi. 10.1007/s00214-008-0463-2
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An exponential multi-reference wavefunction ansatz: connectivity analysis and application to N<sub>2</sub>.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 121, n. 3/4, p. 187, doi. 10.1007/s00214-008-0464-1
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Prediction of NMR order parameters in proteins using weighted protein contact-number model.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 121, n. 3/4, p. 197, doi. 10.1007/s00214-008-0465-0
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Theoretical investigation of the electronic absorption spectrum of Piceatannol in methanolic solution.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 121, n. 3/4, p. 147, doi. 10.1007/s00214-008-0457-0
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Theoretical studies of the spectroscopic properties of blue emitting iridium complexes.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 121, n. 3/4, p. 155, doi. 10.1007/s00214-008-0458-z
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