Sharif Digital Repository

Calculating the acidity of silica supported alkyl sulfonic acids considering the matrix effect: A DFT study

Author

Vafaeezadeh, M.

Subjects

QTAIM.

Structural relevance of N2O2-donor naphthodiaza-crown macrocyclic ligands to selective fluorescence signaling behavior towards aliphatic tertiary amines

Author

Ghanbari, B.

Publisher

Elsevier,

Pub. Year

2016

Subjects

Naphthodiaza-crown.

Evaluation of hydrogen bonds formation in the selected rare sugars based on 6-31G* and 6–311 + + G(d,p) basis sets

Author

Mosapour Kotena, Z.

Publisher

Springer Science and Business Media Deutschland GmbH,

Pub. Year

2021

Subjects

DFT.

Theoretical study of protic solvents hydrogen bonding effect, on the reaction of cyclopentadiene and vinyl acetate; apart from the bulk properties

Author

Irani, M.

Subjects

Hydrogen bonding.

Conformational aspects of glutathione tripeptide: Electron density topological & natural bond orbital analyses

Author

Aliakbar Tehrani, Z.

Pub. Year

2013

Subjects

Ramachandran map.

Theoretical study of protic solvents hydrogen bonding effect, on the reaction of cyclopentadiene and vinyl acetate; apart from the bulk properties

Author

Irani, M.

Pub. Year

2009

Subjects

Solvent effects.

Neutral intramolecular hydrogen-bonded bases

Author

Tian, Z.

Pub. Year

2009

Subjects

Super bases.

Influence of remote intramolecular hydrogen bonding on the acidity of hydroxy-1,4-benzoquinonederivatives: A DFT study

Author

Bayat, A.

Publisher

John Wiley and Sons Ltd,

Pub. Year

2019

Subjects

Hydrogen bonds.

Synthesis and crystal structure of bis (tetrabutylammonium)(4,4′- azodi(phenylcyanamide)) salt • [(n-Bu)4N] 2[azodicyd2-] • H2O

Author

Boghaei, D. M.

Pub. Year

2008

Subjects

Crystal structure.

Hydrogen bonding effects on acidity enhancement of barbiturates and their metabolites in gas and solution phase, a DFT study

Author

Daneshfar, M.

Publisher

Elsevier B.V,

Pub. Year

2021

Subjects

PKa.

Cooperativity effects of intramolecular OH...O interactions on pK a values of polyolalkyl sulfonic acids in the gas phase and solution: A density functional theory study

Author

Najdian, A.

Subjects

Hydrogen bonds.

Interactions of glutathione tripeptide with gold cluster: Influence of intramolecular hydrogen bond on complexation behavior

Author

Tehrani, Z. A.

Pub. Year

2012

Subjects

Oligopeptides.

Acidity enhancement of α-carbon of beta diketones via hydroxyl substituents: A density functional theory study

Author

Rahimi, M.

Publisher

John Wiley and Sons Ltd,

Pub. Year

2021

Subjects

Density functional theory.

Synthesis and characterization of a new group of Exo-coordinating o2n2-donor macrocycles

Author

Ghanbari, B.

Publisher

CSIRO,

Pub. Year

2016

Subjects

Hydrogen bonds.

CO2 separation by supported liquid membranes synthesized with natural deep eutectic solvents

Author

Saeed, U.

Publisher

Springer Science and Business Media Deutschland GmbH,

Pub. Year

2021

Subjects

Solvents.

Solute-solvent interaction effects on second-order rate constants of reaction between 1-chloro-2,4-dinitrobenzene and aniline in alcohol-water mixtures

Author

Harati, M.

Pub. Year

2005

Subjects

Solvents.

Thermochemical properties of some vinyl chloride-induced DNA lesions: Detailed view from NBO & AIM analysis

Author

Tehrani, Z. A.

Pub. Year

2012

Subjects

Escherichia coli.

Can anion interaction accelerate transformation of cytosine tautomers? Detailed view form QTAIM analysis

Author

Jebeli Javan, M.

Subjects

Tautomerization.

Influence of a β-OH substituent on SN2 reactions of fluoroethane: Intramolecular hydrogen bonding catalysis or inhibition? A theoretical study

Author

Ahmadi, A. A.

Subjects

Theoretical study.