N-doped graphene as a nanostructure adsorbent for carbon monoxide: DFT calculations.
- Published in:
- Molecular Physics, 2016, v. 114, n. 11, p. 1756, doi. 10.1080/00268976.2016.1145748
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- Publication type:
- Article
Works by Zardoost, Mohammad Reza
Results: 15
1
2
Phosphorene and Na-, Ca-, and Fe-doped phosphorene as candidates for delivery of mercaptopurine and fluorouracil anticancer drugs.
- Published in:
- Journal of Molecular Modeling, 2020, v. 26, n. 10, p. 1, doi. 10.1007/s00894-020-04480-8
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- Publication type:
- Article
3
Adsorption of light mercaptans over metal (Co, Cu, Fe, Ni) doped hexagonal boron nitride nanosheets: a first-principles study.
- Published in:
- Journal of Molecular Modeling, 2019, v. 25, n. 5, p. 1, doi. 10.1007/s00894-019-4030-7
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- Publication type:
- Article
4
First-principles study of terpyrrole as a potential hydrogen cyanide sensor: DFT calculations.
- Published in:
- Journal of Molecular Modeling, 2015, v. 21, n. 10, p. 1, doi. 10.1007/s00894-015-2814-y
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- Publication type:
- Article
5
The Diels–Alder Reaction between Euparin and Dimethyl Acetylenedicarboxylate; a Joint Experimental and Density Functional Theory Study.
- Published in:
- Polycyclic Aromatic Compounds, 2024, v. 44, n. 3, p. 2077, doi. 10.1080/10406638.2023.2212102
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- Publication type:
- Article
6
Ionic liquid promoted green synthesis of new pyridazino benzazepine derivatives: Evaluation of antioxidant activity.
- Published in:
- Journal of Heterocyclic Chemistry, 2020, v. 57, n. 12, p. 4200, doi. 10.1002/jhet.4127
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- Publication type:
- Article
7
A DFT study of 1,3-dipolar cycloaddition reaction of benzonitrile oxide and N-aryl-2,4,6-heptatrien-1-imine.
- Published in:
- Progress in Reaction Kinetics & Mechanism, 2014, v. 39, n. 3, p. 292, doi. 10.3184/146867814X14043731662909
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- Publication type:
- Article
8
Effect of fluorine substitution on the reaction between methylene and acetone: a DFT study.
- Published in:
- Progress in Reaction Kinetics & Mechanism, 2014, v. 39, n. 1, p. 53, doi. 10.3184/97809059274714X13874723178160
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- Publication type:
- Article
9
a DFT study on the 1,3-dipolar cycloaddition of benzonitrile oxide and N-ethylmaleimide.
- Published in:
- Progress in Reaction Kinetics & Mechanism, 2013, v. 38, n. 3, p. 316, doi. 10.3184/146867813X13708865885403
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- Publication type:
- Article
10
A DFT study on the effect of functional groups on the formation kinetics of 1,2,3-triazolo-1,4-benzoxazine via intramolecular 1,3-dipolar cycloaddition.
- Published in:
- Progress in Reaction Kinetics & Mechanism, 2013, v. 38, n. 2, p. 191, doi. 10.3184/146867813X13632857557653
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- Publication type:
- Article
11
A DFT study on the cycloaddition of dimethyl acetylenedicarboxylate and 3,4-dihydroisoquinoline-N-oxide.
- Published in:
- Progress in Reaction Kinetics & Mechanism, 2012, v. 37, n. 4, p. 436, doi. 10.3184/146867812X13442655909162
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- Publication type:
- Article
12
A density functional theory study of cyclization of citronellal.
- Published in:
- Progress in Reaction Kinetics & Mechanism, 2012, v. 37, n. 2, p. 173, doi. 10.3184/146867812X13332734805828
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- Publication type:
- Article
13
A DFT study of solvent effects on the cycloaddition of norbornadiene and 3,4-dihydroisoquinoline-N-oxide.
- Published in:
- Progress in Reaction Kinetics & Mechanism, 2011, v. 36, n. 3, p. 252, doi. 10.3184/146867811X13095326582455
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- Publication type:
- Article
14
The C-, Si-, Ge-Doped (6,3) Chiral BNNTs: A Computational Study.
- Published in:
- Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences, 2015, v. 70, n. 10, p. 859, doi. 10.1515/zna-2015-0225
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- Publication type:
- Article
15
Pure and Cu, Fe, and Zn-doped CNTs as novel drug carriers for dacarbazine.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 1, p. 1, doi. 10.1007/s00214-022-02948-9
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- Publication type:
- Article