Works matching IS 1432881X AND DT 2019 AND VI 138 AND IP 5
Results: 13
QM/MM study of the conversion of biliverdin into verdoheme by heme oxygenase.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 5, p. N.PAG, doi. 10.1007/s00214-019-2461-y
- By:
- Publication type:
- Article
Gold(I)-catalyzed intermolecular dioxolane addition to alkynes: the role of water.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 5, p. N.PAG, doi. 10.1007/s00214-019-2460-z
- By:
- Publication type:
- Article
Theoretical study of the photochemical isomerization process of perfluoroaryltetrahedrane to perfluoroarylcyclobutadiene mediated by 9,10-dicyanoanthracene.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 5, p. N.PAG, doi. 10.1007/s00214-019-2459-5
- By:
- Publication type:
- Article
Nature of interlayer carbon–carbon covalent bonding in graphene-based materials.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 5, p. N.PAG, doi. 10.1007/s00214-019-2458-6
- By:
- Publication type:
- Article
Structural behavior of phenylalanine–tryptophan peptide nanotubes at anhydrous conditions: a theoretical investigation.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 5, p. N.PAG, doi. 10.1007/s00214-019-2457-7
- By:
- Publication type:
- Article
Theoretical assessment of donor–acceptor complexes [X(PPh<sub>3</sub>)<sub>2</sub> → AlH<sub>2</sub>]<sup>+</sup> (X = C–Pb): structures and bonding.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 5, p. N.PAG, doi. 10.1007/s00214-019-2456-8
- By:
- Publication type:
- Article
Electrophilic additions of nitrated fatty acids with biological thiols: comparison with type-2 alkenes.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 5, p. N.PAG, doi. 10.1007/s00214-019-2455-9
- By:
- Publication type:
- Article
Structures, binding energies and temperature effects in MgNH3n=1-102+ clusters.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 5, p. N.PAG, doi. 10.1007/s00214-019-2454-x
- By:
- Publication type:
- Article
Effect of the alkyl substituent in NONOates derivatives on the reaction mechanism of NO liberation.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 5, p. N.PAG, doi. 10.1007/s00214-019-2453-y
- By:
- Publication type:
- Article
The study of nitroxide radical redox-couple and anatase surface interaction: a guide to choose the best sensitizer.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 5, p. N.PAG, doi. 10.1007/s00214-019-2452-z
- By:
- Publication type:
- Article
Unravelling the reaction mechanism for the Claisen–Tishchenko condensation catalysed by Mn(I)-PNN complexes: a DFT study.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 5, p. N.PAG, doi. 10.1007/s00214-019-2449-7
- By:
- Publication type:
- Article
Theoretical determination of the OH-initiated oxidation rate constants of α,ω-dialkoxyfluoropolyethers.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 5, p. N.PAG, doi. 10.1007/s00214-019-2436-z
- By:
- Publication type:
- Article
Gas-phase reactivity tuned through the interaction with alkaline-earth derivatives.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 5, p. N.PAG, doi. 10.1007/s00214-019-2424-3
- By:
- Publication type:
- Article