DFT Studies of the Molecular Structures and Conformational Processes of 1,2-, 1,3- and 1,4-Dithiepane.
- Published in:
- Chinese Journal of Chemistry, 2008, v. 26, n. 3, p. 471, doi. 10.1002/cjoc.200890089
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- Publication type:
- Article
Works matching AU Haghdadi, Mina
Results: 17
1
2
An Experimental and Theoretical Study on Influence of H-bonding on the Synthesized Azo Derivatives Structures.
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- Journal of the Chinese Chemical Society, 2013, v. 60, n. 1, p. 45, doi. 10.1002/jccs.201200170
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- Article
3
Unveiling the zwitterionic and stepwise mechanism for the domino reactions of amidine with 1,2,4,5‐ and 1,2,3,5‐tetrazines.
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- International Journal of Quantum Chemistry, 2023, v. 123, n. 4, p. 1, doi. 10.1002/qua.27038
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- Publication type:
- Article
4
DFT study on the regio- and stereo-selectivity of the Diels-Alder reaction between a cycloprop-2-ene carboxylate and some cyclic 1,3-dienes.
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- Progress in Reaction Kinetics & Mechanism, 2016, v. 41, n. 2, p. 193, doi. 10.3184/146867816X14636767119354
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- Article
5
DFT study on the mechanism of the Diels-Alder reactions leading to bicyclo[4.2.0]octenones.
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- Progress in Reaction Kinetics & Mechanism, 2016, v. 41, n. 1, p. 67, doi. 10.3184/146867816X14506899861213
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- Publication type:
- Article
6
A theoretical study on the regio- and stereoselectivity of [3+2] cycloddition of β-trifluoroacetyl vinyl ethyl ether with 3-oxo-1,2-pyrazolidinium ylides.
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- Journal of the Serbian Chemical Society, 2018, v. 83, n. 1, p. 1, doi. 10.2298/JSC170511099H
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- Article
7
Stepwise or concerted? A DFT study on the mechanism of ionic Diels-Alder reactions of chromanes.
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- Journal of the Serbian Chemical Society, 2016, v. 81, n. 1, p. 67, doi. 10.2298/JSC150420089H
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- Publication type:
- Article
8
Theoretical study on the Diels–Alder reaction of bromo-substituted 2H-pyran-2-ones and some substituent vinyls.
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- Journal of the Serbian Chemical Society, 2015, v. 80, n. 9, p. 1139, doi. 10.2298/JSC141205014H
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- Article
9
Density functional theory (DFT) calculations of conformational energies and interconversion pathways in 1,2,7-thiadiazepane.
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- Journal of the Serbian Chemical Society, 2011, v. 76, n. 3, p. 395, doi. 10.2298/JSC100812040H
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- Publication type:
- Article
10
Artificial neural network prediction of the psychometric activities of phenylalkylamines using DFT-calculated molecular descriptors.
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- Journal of the Serbian Chemical Society, 2010, v. 75, n. 10, p. 1391, doi. 10.2298/JSC100408116H
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- Article
11
Synthesis of Substituted Pyrazino[5,6-b]pyrimidine and Some Indole Derivatives.
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- Phosphorus, Sulfur & Silicon & the Related Elements, 2009, v. 184, n. 11, p. 2846, doi. 10.1080/10426500802590228
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- Publication type:
- Article
12
Conformational Energies in Organic Six-Membered Cyclic Sulfoxides.
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- Phosphorus, Sulfur & Silicon & the Related Elements, 2006, v. 181, n. 7, p. 1693, doi. 10.1080/10426500500366913
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- Publication type:
- Article
13
An Ab Initio Study of Conformational Energies in Dioxo-, Trioxo-, and Tetroxo-Dithianes.
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- Phosphorus, Sulfur & Silicon & the Related Elements, 2006, v. 181, n. 7, p. 1681, doi. 10.1080/10426500500366897
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- Publication type:
- Article
14
TRIPHENYPHOSPHINE-MEDIATED EFFICIENT SYNTHESIS OF FUNCTIONALIZED 2-OXO-2H-CHROMENES.
- Published in:
- Phosphorus, Sulfur & Silicon & the Related Elements, 2004, v. 179, n. 11, p. 2163, doi. 10.1080/10426500490474798
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- Article
15
AB INITIO MOLECULAR ORBITAL STUDY OF 1,2-DITHIANE AND 1,2,4,5-TETRATHIANE.
- Published in:
- Phosphorus, Sulfur & Silicon & the Related Elements, 2004, v. 179, n. 10, p. 2015, doi. 10.1080/10426500490473537
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- Publication type:
- Article
16
Computational study on the mechanism of the three-component reaction of dimethylacetylene dicarboxylate and triphenylphosphine with 2-acetylbutyrolactone.
- Published in:
- Canadian Journal of Chemistry, 2015, v. 93, n. 6, p. 666, doi. 10.1139/cjc-2014-0475
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- Publication type:
- Article
17
A DFT study on the mechanism and selectivity of [3 + 2] cycloaddition reactions leading to pyrole[2,1-a] phthalazine compounds.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 5, p. 1, doi. 10.1007/s00214-021-02756-7
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- Publication type:
- Article