Works matching IS 1432881X AND DT 2022 AND VI 141 AND IP 8
Results: 6
Role of non-covalent interactions in deciding the fate of product formation in bifunctional thiourea-assisted chiral organic reactions.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2022, v. 141, n. 8, p. 1, doi. 10.1007/s00214-022-02902-9
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Intramolecular force field for carboxylate Pt(II)-complexes.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2022, v. 141, n. 8, p. 1, doi. 10.1007/s00214-022-02901-w
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Theoretical study of the radical–radical reactions between HOCH<sub>2</sub>OO and OH.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2022, v. 141, n. 8, p. 1, doi. 10.1007/s00214-022-02900-x
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Theoretical investigation on properties of CL-20/HMX cocrystal explosive with crystal defect by molecular dynamics method.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2022, v. 141, n. 8, p. 1, doi. 10.1007/s00214-022-02899-1
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The promoting mechanism of SO<sub>4</sub><sup>2−</sup> on CeO<sub>2</sub> for selective catalytic reduction of NO by NH<sub>3</sub>: A DFT study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2022, v. 141, n. 8, p. 1, doi. 10.1007/s00214-022-02898-2
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A DFT theoretical investigation on the interplay effects between cation-π and intramolecular hydrogen bond interactions in the mesalazine⋯Fe<sup>2+</sup> binary complex.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2022, v. 141, n. 8, p. 1, doi. 10.1007/s00214-022-02896-4
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