Works matching IS 1432881X AND DT 2005 AND VI 113 AND IP 1
Results: 7
Theory and range of modern semiempirical molecular orbital methods.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2005, v. 113, n. 1, p. 1, doi. 10.1007/s00214-004-0610-3
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Structural and electronic trends inortho-metalated dirhodium(II) complexes.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2005, v. 113, n. 1, p. 63, doi. 10.1007/s00214-004-0611-2
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Redox potential of iron-sulfur clusters as a model of theDesulfovibrio vulgariscenter.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2005, v. 113, n. 1, p. 42, doi. 10.1007/s00214-004-0603-2
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Polyparametric modification equation for estimating thermodynamic properties of energetic nitro compounds.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2005, v. 113, n. 1, p. 35, doi. 10.1007/s00214-004-0609-9
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Structure and torsional flexibility of the linkage between guanine and fluorene residues in the deoxyguanosine-aminofluorene and deoxyguanosine-acetylaminofluorene carcinogenic adducts.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2005, v. 113, n. 1, p. 28, doi. 10.1007/s00214-004-0566-3
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Ab initio calculations of vibronic activity in phosphorescence microwave double resonance spectra ofp-dichlorobenzene.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2005, v. 113, n. 1, p. 15, doi. 10.1007/s00214-004-0596-x
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Newton leaves on potential energy surfaces.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2005, v. 113, n. 1, p. 58, doi. 10.1007/s00214-004-0608-x
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