Works matching IS 1432881X AND DT 2019 AND VI 138 AND IP 10
Results: 6
Theoretical and experimental revision of the water bending excitation in the OH/OD + GeH<sub>4</sub> reactions.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 10, p. N.PAG, doi. 10.1007/s00214-019-2506-2
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Automatic routing of Goldstone diagrams using genetic algorithms.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 10, p. N.PAG, doi. 10.1007/s00214-019-2505-3
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QCT study of the vibrational and translational role in the H + C<sub>2</sub>H<sub>6</sub>(ν<sub>1</sub>, ν<sub>2</sub>, ν<sub>5</sub>, ν<sub>7</sub>, ν<sub>9</sub> and ν<sub>10</sub>) reactions.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 10, p. N.PAG, doi. 10.1007/s00214-019-2504-4
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Computational investigation on the reaction of dimethyl ether with nitric dioxide. I. Underlying mechanism and accurate energetics.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 10, p. N.PAG, doi. 10.1007/s00214-019-2503-5
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CO<sub>2</sub> induced swing effect at imidazolate of zeolitic imidazolate framework-90 using molecular simulations.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 10, p. N.PAG, doi. 10.1007/s00214-019-2501-7
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Enthalpies of formation of the benzyloxyl, benzylperoxyl, hydroxyphenyl radicals and related species on the potential energy surface for the reaction of toluene with the hydroxyl radical.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 10, p. N.PAG, doi. 10.1007/s00214-019-2500-8
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