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Direct ab initio study on the rate constants of radical C(AΠ) + CH reaction.
- Published in:
- Journal of Molecular Modeling, 2013, v. 19, n. 3, p. 1009, doi. 10.1007/s00894-012-1616-8
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- Article
A barrier-free molecular radical-molecule reaction: $${^{3}C_{2} (a^{3}\Pi) {+} O_{2} (X^{3} \Sigma)}$$.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 118, n. 2, p. 295, doi. 10.1007/s00214-007-0249-y
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- Article
Atomic radical—molecule reactions F + CH<sub>3</sub>C≡CH: mechanistic study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 117, n. 3, p. 417, doi. 10.1007/s00214-006-0169-2
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- Article
Direct ab initio dynamics study of the reaction of C<sub>2</sub>(A<sup>3</sup>Π<sub> u</sub>) with CH<sub>4</sub>.
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- International Journal of Quantum Chemistry, 2012, v. 112, n. 4, p. 1078, doi. 10.1002/qua.23076
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- Article
Conformational transition pathway in the allosteric process of calcium-induced recoverin: Molecular dynamics simulations.
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- Journal of Computational Chemistry, 2009, v. 30, n. 7, p. 1135, doi. 10.1002/jcc.21144
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- Article
Theoretical elucidation of the rhodium-catalyzed [4 + 2] annulation reactions.
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- Journal of Computational Chemistry, 2008, v. 29, n. 5, p. 686, doi. 10.1002/jcc.20824
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- Article
Endovascular thrombectomy in wake-up stroke guided by arterial spin-labeling and fluid-attenuated inversion recovery versus diffusion-weighted imaging mismatch on MRI.
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- Journal of Thrombosis & Thrombolysis, 2024, v. 57, n. 5, p. 797, doi. 10.1007/s11239-024-02973-4
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- Article