Works matching IS 1432881X AND DT 2008 AND VI 119 AND IP 1-3
Results: 24
Response tensors for chiral discrimination in NMR spectroscopy.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 99, doi. 10.1007/s00214-006-0184-3
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- Publication type:
- Article
The change of the proton magnetic shielding in red- and blue-shifted linear hydrogen-bonded complexes.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 29, doi. 10.1007/s00214-006-0182-5
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- Article
Direct determination of absolute configuration: a vibrational circular dichroism study on dimethyl-substituted phenyloxiranes synthesized by Shi epoxidation.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 133, doi. 10.1007/s00214-006-0186-1
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- Article
Tight β-turns in peptides. DFT-based study of infrared absorption and vibrational circular dichroism for various conformers including solvent effects.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 81, doi. 10.1007/s00214-006-0183-4
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- Article
Characterizing vibrational motion beyond internal coordinates.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 113, doi. 10.1007/s00214-006-0185-2
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- Article
Protein voltammetry and spectroscopy: integrating approaches.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 107, doi. 10.1007/s00214-006-0233-y
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- Article
Philip J. Stephens: A scientific memoir.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 5, doi. 10.1007/s00214-006-0190-5
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- Publication type:
- Article
A vibrational circular dichroism implementation within a Slater-type-orbital based density functional framework and its application to hexa- and hepta-helicenes.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 245, doi. 10.1007/s00214-006-0234-x
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- Article
Extended charge decomposition analysis and its application for the investigation of electronic relaxation.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 57, doi. 10.1007/s00214-007-0270-1
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- Article
Regional organic geochemistry of host sediments of Palaeoproterozoic McArthur River Ore deposit, Australia.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 143, doi. 10.1007/s00214-007-0298-2
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- Publication type:
- Article
Classification of protein fold classes by knot theory and prediction of folds by neural networks: A combined theoretical and experimental approach.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 265, doi. 10.1007/s00214-007-0285-7
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- Publication type:
- Article
Introduction: a Festschrift in honor of Philip J. Stephens’ 65th birthday.
- Published in:
- 2008
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- Publication type:
- Editorial
A liposomal dispersion formulation of propofol: formulation, pharmacokinetics, stability, and identification of an oxidative degradant.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 291, doi. 10.1007/s00214-007-0288-4
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- Publication type:
- Article
Theory of Raman scattering and Raman optical activity: near resonance theory and levels of approximation.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 39, doi. 10.1007/s00214-007-0267-9
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- Publication type:
- Article
Reduction of linear birefringence in vibrational circular dichroism measurement: use of a rotating half-wave plate.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 69, doi. 10.1007/s00214-007-0284-8
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- Publication type:
- Article
Extended charge decomposition analysis and its application for the investigation of electronic relaxation.
- Published in:
- 2008
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- Publication type:
- Correction Notice
A combined theoretical and experimental study of the structure and vibrational absorption, vibrational circular dichroism, Raman and Raman optical activity spectra of the L-histidine zwitterion.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 155, doi. 10.1007/s00214-007-0276-8
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- Publication type:
- Article
Electronic structures of tetragonal nitrido and nitrosyl metal complexes.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 35, doi. 10.1007/s00214-006-0236-8
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- Publication type:
- Article
An IEF-PCM study of solvent effects on the Faraday $${\mathcal{B}}$$ term of MCD.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 231, doi. 10.1007/s00214-006-0235-9
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- Article
A definition for the covalent and ionic bond index in a molecule.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 275, doi. 10.1007/s00214-007-0282-x
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- Publication type:
- Article
Role of hydration in determining the structure and vibrational spectra of L-alanine and N-acetyl L-alanine N′-methylamide in aqueous solution: a combined theoretical and experimental approach.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 191, doi. 10.1007/s00214-007-0361-z
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- Article
Determination of the absolute configuration of chiral molecules via density functional theory calculations of vibrational circular dichroism and optical rotation: The chiral alkane D<sub>3</sub>-anti-trans-anti-trans-anti-trans-perhydrotriphenylene.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 19, doi. 10.1007/s00214-006-0245-7
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- Publication type:
- Article
trans-1,2-Dicyano-cyclopropane and other cyano-cyclopropane derivatives.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 211, doi. 10.1007/s00214-007-0391-6
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- Publication type:
- Article
A configurational and conformational study of aframodial and its diasteriomers via experimental and theoretical VA and VCD spectroscopies.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 177, doi. 10.1007/s00214-007-0390-7
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- Publication type:
- Article