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Articles (10)

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1-10 of 10 results for nucleus independent chemical shift

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Select article: The Allylic Rearrangements (Claisen and Thio-Claisen) and Decomposition Reactions of Allyl Formate and its Sulfur Analogue: Density Function Theory Study and Nucleus-Independent Chemical Shifts

Free access

Research article

First published 2013-6

The Allylic Rearrangements (Claisen and Thio-Claisen) and Decomposition Reactions of Allyl Formate and its Sulfur Analogue: Density Function Theory Study and Nucleus-Independent Chemical Shifts

Abolfazl Shiroudi, Ehsan Zahedi

Progress in Reaction Kinetics and Mechanism

Select article: Theoretical investigations on the HOMO–LUMO gap and global reactivity descriptor studies,natural bond orbital,and nucleus-independent chemical shifts analyses of 3-phenylbenzo[ d ]thiazole-2(3 H )-imine and its para -substituted derivatives: Solvent and substituent effects

Open access

Research article

First published 2021-1

Theoretical investigations on the HOMO–LUMO gap and global reactivity descriptor studies,natural bond orbital,and nucleus-independent chemical shifts analyses of 3-phenylbenzo[ d ]thiazole-2(3 H )-imine and its para -substituted derivatives: Solvent and substituent effects

Marzieh Miar, Abolfazl Shiroudi, Khalil Pourshamsian [...]

Journal of Chemical Research

Select article: Theoretical study of Borazanaphthalene and its mono-Fluorinated derivatives: structure and properties

Retricted access

Research article

First published 2007-2

Theoretical study of Borazanaphthalene and its mono-Fluorinated derivatives: structure and properties

Reza Ghiasi

Main Group Chemistry

Select article: Effect of substitution on the structures,properties,and aromaticity of 1-H-boratabenzene anion

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Research article

First published 2009-5

Effect of substitution on the structures,properties,and aromaticity of 1-H-boratabenzene anion

Hoda Pasdar, Reza Ghiasi

Main Group Chemistry

Select article: Theoretical study of classical isomers tropylium,azatropylium,phosphatropylium,and arsatropylium cations: structure,properties and aromaticity

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Research article

First published 2008-5

Theoretical study of classical isomers tropylium,azatropylium,phosphatropylium,and arsatropylium cations: structure,properties and aromaticity

Reza Ghiasi

Main Group Chemistry

Select article: 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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Research article

First published 2016-6

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

Mina Haghdadi, Nasim Nab, Hassan Ghasemnejad Bosra

Progress in Reaction Kinetics and Mechanism

Select article: Theoretical studies on the structures,properties,and aromaticity of germatropylium cations

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Research article

First published 2006-8

Theoretical studies on the structures,properties,and aromaticity of germatropylium cations

Reza Ghiasi

Main Group Chemistry

Select article: Dft Study of Allylic Rearrangements (Cope Rearrangements) of Substituted Hexa-L,5-Dienes: Nbo and Nics Analysis

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Research article

First published 2011-5

Dft Study of Allylic Rearrangements (Cope Rearrangements) of Substituted Hexa-L,5-Dienes: Nbo and Nics Analysis

Hossein Aghaie, Ehsan Zahedi, Shima Mohammadkhani [...]

Progress in Reaction Kinetics and Mechanism

Select article: A Theoretical Model of a Magnetic Polymer

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Research article

First published 2006-11

A Theoretical Model of a Magnetic Polymer

Pravat Kumar Maiti

Polymers and Polymer Composites

Select article: Isomerisation Reactions of α-Methyl Allyl [Acetate,Trifluoroacetate]: Theoretical Study

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Research article

First published 2013-9

Isomerisation Reactions of α-Methyl Allyl [Acetate,Trifluoroacetate]: Theoretical Study

Abolfazl Shiroudi, Ehsan Zahedi

Progress in Reaction Kinetics and Mechanism

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