Found: 17
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Density functional study on the mechanism of collision reaction among protons, N<sub>2</sub> and water vapor.
- Published in:
- Chinese Journal of Chemistry, 2004, v. 22, n. 6, p. 594, doi. 10.1002/cjoc.20040220620
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- Article
Quantum chemical study on the reaction mechanism of OBrO radical with OH radical.
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- Chinese Journal of Chemistry, 2004, v. 22, n. 6, p. 611, doi. 10.1002/cjoc.20040220623
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- Article
Two Cobalt(II) Supramolecular architectures based on 1,5-naphthalenedisulfonate: Syntheses, Structures and Photoluminescence.
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- Journal of the Iranian Chemical Society, 2015, v. 12, n. 7, p. 1227, doi. 10.1007/s13738-015-0586-z
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- Article
Mechanism, kinetics, and environmental assessment of OH‐initiated transformation of CTDE in the atmosphere.
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- International Journal of Quantum Chemistry, 2020, v. 120, n. 15, p. 1, doi. 10.1002/qua.26250
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- Article
DFT studies on the mechanism of the reaction of C<sub>2</sub>H<sub>5</sub>S with NO<sub>2</sub>.
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- International Journal of Quantum Chemistry, 2007, v. 107, n. 9, p. 1907, doi. 10.1002/qua.21327
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- Article
DFT studies on the multi-channel reaction of CH<sub>3</sub>S+NO<sub>2</sub>.
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- International Journal of Quantum Chemistry, 2007, v. 107, n. 6, p. 1495, doi. 10.1002/qua.21291
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- Article
Theoretical insight into the role of urea in the hydrolysis reaction of NO<sub>2</sub> as a source of HONO and aerosols.
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- Environmental Chemistry (14482517), 2018, v. 15, n. 6, p. 372, doi. 10.1071/EN18083
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- Article
Atmospheric fate of methyl pivalate: OH/Cl-initiated degradation and the roles of water and formic acid.
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- Environmental Chemistry (14482517), 2018, v. 15, n. 4, p. 246, doi. 10.1071/EN17206
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- Article
Computational study of H-abstraction reactions from CHOCHCHCl/CHCHOCHCHCl by Cl atom and OH radical and fate of alkoxy radicals.
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- Environmental Science & Pollution Research, 2016, v. 23, n. 23, p. 23467, doi. 10.1007/s11356-016-7505-4
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- Article
Theoretical investigations on electronic structures and photophysical properties of N-heteroaryl carbazole derivatives as host materials.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 1, p. 1, doi. 10.1007/s00214-012-1302-z
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- Article
Theoretical insight into OH- and Cl-initiated oxidation of CF<sub>3</sub>OCH(CF<sub>3</sub>)<sub>2</sub> and CF<sub>3</sub>OCF<sub>2</sub>CF<sub>2</sub>H &fate of CF<sub>3</sub>OC(X•)(CF<sub>3</sub>)<sub>2</sub> and CF<sub>3</sub>OCF<sub>2</sub>CF<sub>2</sub>X• radicals (X=O, O<sub>2</sub>)
- Published in:
- Scientific Reports, 2017, p. 40264, doi. 10.1038/srep40264
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- Article
Theoretical study on the formation mechanisms, dynamics and the effective catalysis of the nitrophenols.
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- ChemistrySelect, 2018, v. 3, n. 36, p. 10188, doi. 10.1002/slct.201802006
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- Article
DFT investigation of the mechanism of CH<sub>2</sub>CO + O(<sup>3</sup>P) reaction.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 105, n. 5, p. 527, doi. 10.1002/qua.20725
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- Article
Direct dynamic study on the hydrogen abstraction reaction of H<sub>2</sub>CO with NCO.
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- International Journal of Chemical Kinetics, 2009, v. 41, n. 6, p. 394, doi. 10.1002/kin.20417
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- Article
Theoretical Studies of the Reactions CF<sub> x</sub>H<sub>3− x</sub>COOR+Cl and CF<sub>3</sub>COOCH<sub>3</sub>+OH.
- Published in:
- ChemPhysChem, 2015, v. 16, n. 8, p. 1768, doi. 10.1002/cphc.201402799
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- Article
Aliovalent‐Ion‐Induced Lattice Regulation Based on Charge Balance Theory: Advanced Fluorophosphate Cathode for Sodium‐Ion Full Batteries.
- Published in:
- Small, 2021, v. 17, n. 32, p. 1, doi. 10.1002/smll.202102010
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- Article
Theoretical study on the mechanisms of the decomposition of nitrate esters and the stabilization of aromatic amines.
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- Journal of Molecular Modeling, 2019, v. 25, n. 12, p. 1, doi. 10.1007/s00894-019-4245-7
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- Article