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Conformational behaviors of trans-2,3- and trans-2,5-dihalo-1,4-diselenanes. A complete basis set, hybrid-density functional theory study and natural bond orbital interpretations.
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- Journal of Molecular Modeling, 2014, v. 20, n. 5, p. 1, doi. 10.1007/s00894-014-2249-x
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- Article
Natural bond orbital, nuclear magnetic resonance analysis and hybrid-density functional theory study of σ-aromaticity in AlF, AlCl, AlBr and AlI.
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- Journal of Molecular Modeling, 2013, v. 19, n. 6, p. 2549, doi. 10.1007/s00894-013-1805-0
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- Article
Prediction of Acidity Constants of Thiazolidine-4-carboxylic Acid Derivatives Using Ab Initio and Genetic Algorithm-Partial Least Squares.
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- Turkish Journal of Chemistry, 2006, v. 30, n. 5, p. 619
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- Article
Complete basis set, hybrid-DFT study and NBO interpretations of conformational behaviors of trans-2,3- and trans-2,5-dihalo-1,4-dithianes.
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- Journal of Physical Organic Chemistry, 2011, v. 24, n. 3, p. 212, doi. 10.1002/poc.1728
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- Article
DFT study and NBO analysis of the mutual interconversion of cumulene compounds.
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- Journal of Physical Organic Chemistry, 2007, v. 20, n. 5, p. 355, doi. 10.1002/poc.1154
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- Article
AM1 study of single-atom peri-bridged naphthalenes.
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- Journal of Physical Organic Chemistry, 1995, v. 8, n. 10, p. 696, doi. 10.1002/poc.610081008
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- Article
New Insights into the Origin of the cis-Configuration Preferences in 1,2-Dihaloethenes: The Importance of the Bonding Orbital Deviations.
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- Australian Journal of Chemistry, 2018, v. 71, n. 1, p. 1, doi. 10.1071/CH17219
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- Article
The Importance of the Pauli Exchange-Type Repulsions and Hyperconjugative Interactions on the Conformational Properties of Halocarbonyl Isocyanates and Halocarbonyl Azides.
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- Australian Journal of Chemistry, 2017, v. 70, n. 1, p. 61, doi. 10.1071/CH16227
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- Article
Analysis of the essential oil of Senecio vernalis Waldst. & Kit. from Iran.
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- Flavour & Fragrance Journal, 2008, v. 23, n. 5, p. 357, doi. 10.1002/ffj.1860
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- Article
Analysis of the essential oil of Grammosciadium scabridum Boiss. from Iran.
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- Flavour & Fragrance Journal, 2007, v. 22, n. 5, p. 350, doi. 10.1002/ffj.1803
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- Article
Kinetics and mechanism study of aniline addition to ethyl propiolate.
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- International Journal of Chemical Kinetics, 2006, v. 38, n. 2, p. 144, doi. 10.1002/kin.20147
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- Article
Investigation of kinetic and mechanism of triphenylphosphine addition to para-naphthoquinone.
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- International Journal of Chemical Kinetics, 2005, v. 37, n. 7, p. 427, doi. 10.1002/kin.20099
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- Article
Exploring the structural and conformational properties of dioxygen dihalides (halogen = F, Cl, Br).
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- Canadian Journal of Chemistry, 2016, v. 94, n. 2, p. 176, doi. 10.1139/cjc-2015-0399
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- Article
Symmetry breaking in the axial symmetrical configurations of enolic propanedial, propanedithial, and propanediselenal: pseudo Jahn-Teller effect versus the resonance-assisted hydrogen bond theory.
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- Canadian Journal of Chemistry, 2015, v. 93, n. 6, p. 673, doi. 10.1139/cjc-2015-0071
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- Article
Complete basis set, hybrid-density functional theory study, and natural bond orbital interpretations of the conformational behavior of halocarbonyl, thiocarbonyl, and selenocarbonyl isocyanates.
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- Canadian Journal of Chemistry, 2012, v. 90, n. 4, p. 333, doi. 10.1139/v2012-002
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- Article
Stereoelectronic interaction effects on the conformational properties of 5-methyl-5-aza-1,3-dithiacyclohexane and its analogous containing N, P, O, and Se atoms — A hybrid density functional theory (DFT), ab initio study, and natural bond orbital (NBO) analysis
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- Canadian Journal of Chemistry, 2010, v. 88, n. 7, p. 579, doi. 10.1139/V10-022
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- Article