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Arkivoc, ISSN 1551-7004, 2018, Volume 2018, Issue 2, pp. 1 - 8
Journal Article
Topics in Catalysis, ISSN 1022-5528, 06/2018, Volume 61, Issue 7-8, pp. 636 - 642
A DFT study aimed at unravelling the origin of catalytic activity of iodine in reaction with alcohols is presented. Computed free energies for generation of... 
Halogen bonding | Catalysis by iodine | DFT calculations | Activation of alcohols | CATALYZED TRANSFORMATION | ANISOTROPIC DIELECTRICS | SOLVENT-FREE CONDITIONS | MECHANISM | SOLUTES | CHEMISTRY, PHYSICAL | CHEMISTRY, APPLIED | NUCLEOPHILIC-SUBSTITUTION-REACTIONS | Hydroxides | Catalysis | Analysis | Alcohols
Journal Article
New Journal of Chemistry, ISSN 1144-0546, 04/2019, Volume 43, Issue 16, pp. 6267 - 6273
The structural/geometrical features, multinuclear GIAO-NMR characteristics, tropicity, nucleus independent chemical shift NICS(1) and NICS(1)zz values, and NPA... 
Journal Article
Journal of Fluorine Chemistry, ISSN 0022-1139, 05/2017, Volume 197, p. 118
The effect of the SF5 group as a substituent on various classes of carbocation was probed computationally employing DFT to examine geometrical changes,... 
Charge density | Chemistry | Computer applications | Organic chemicals | Nitrogen dioxide
Journal Article
Journal of Fluorine Chemistry, ISSN 0022-1139, 05/2017, Volume 197, p. 118
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Journal Article
European Journal of Organic Chemistry, ISSN 1434-193X, 10/2015, Volume 2015, Issue 30, pp. 6615 - 6623
The chemical properties and reactivity of enals were explored by means of quantum chemical methods of calculation. The substituent effects were examined by... 
Enals | Substituent effects | Computational chemistry | Silicon | Reaction mechanisms | ANISOTROPIC DIELECTRICS | DELOCALIZATION | CHEMISTRY, ORGANIC | ANION RELAY CHEMISTRY | STABLE CARBOCATIONS | CATIONS | DENSITY | C-13 | ALLYLIC ALCOHOLS | CHARGE-DISTRIBUTION | SET MODEL CHEMISTRY | Chemical properties | Surface active agents | Chemical tests and reagents | Analysis
Journal Article
Tetrahedron Letters, ISSN 0040-4039, 02/2016, Volume 57, Issue 6, p. 663
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Palladium | Acetates
Journal Article
HETEROATOM CHEMISTRY, ISSN 1042-7163, 01/2019, Volume 2019, pp. 1 - 10
A facile Selectfluor-mediated oxidative method for direct introduction of SCN and SeCN groups into diversely substituted indoles and carbazoles is described,... 
AMMONIUM THIOCYANATE | C-3 THIOCYANATION | ELECTROPHILIC THIOCYANATION | AROMATICS | REGIOSELECTIVE THIOCYANATION | FLUORINATION | CATALYST | CHEMISTRY, MULTIDISCIPLINARY | METAL-FREE | SELENIUM | ARYL THIOCYANATES
Journal Article
Journal of Policy Analysis and Management, ISSN 0276-8739, 06/2015, Volume 34, Issue 3, pp. 304 - 308
Journal Article
European Journal of Organic Chemistry, ISSN 1434-193X, 10/2015, Volume 2015, Issue 30, pp. 6615 - 6623
Journal Article
Tetrahedron Letters, ISSN 0040-4039, 12/2014, Volume 55, Issue 49, p. 6643
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