Works matching IS 1432881X AND DT 2010 AND VI 127 AND IP 1/2
Results: 9
Theoretical study on the radical–radical reaction mechanism of CHI + NO.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 1/2, p. 49, doi. 10.1007/s00214-009-0702-1
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Solvolysis process of organophosphorus compound P-[2-(dimethylamino)ethyl]- N, N-dimethylphosphonamidic fluoride with simple and α-nucleophiles: a DFT study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 1/2, p. 39, doi. 10.1007/s00214-009-0701-2
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Intramolecular ferromagnetic coupling in bis-oxoverdazyl and bis-thioxoverdazyl diradicals with polyacene spacers.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 1/2, p. 57, doi. 10.1007/s00214-009-0705-y
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Mechanistic pathways for the reaction of quercetin with hydroperoxy radical.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 1/2, p. 69, doi. 10.1007/s00214-009-0706-x
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Heterogeneous reaction mechanisms of the reduction of nitric oxide on carbon surfaces: a theoretical analysis.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 1/2, p. 95, doi. 10.1007/s00214-009-0708-8
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Theoretical study on the singlet and triplet potential energy surfaces of NH (XΣ) + HCNO reaction.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 1/2, p. 81, doi. 10.1007/s00214-009-0707-9
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Wavepacket quantum dynamics.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 1/2, p. 1, doi. 10.1007/s00214-010-0760-4
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- Article
A comparison of approaches to estimate the resonance energy.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 1/2, p. 19, doi. 10.1007/s00214-010-0793-8
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How to properly compute the resonance energy within the ab initio valence bond theory: a response to the ZHJVL paper.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 1/2, p. 27, doi. 10.1007/s00214-010-0794-7
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- Article