| # |
Type |
Title |
Author |
Publisher |
Pub. Year |
Subjects |
Call Number |
|
1
|
مقاله
|
Calculating the acidity of silica supported alkyl sulfonic acids considering the matrix effect: A DFT study
|
Vafaeezadeh, M.
|
|
|
QTAIM.
|
|
|
2
|
مقاله
|
Structural relevance of N2O2-donor naphthodiaza-crown macrocyclic ligands to selective fluorescence signaling behavior towards aliphatic tertiary amines
|
Ghanbari, B.
|
Elsevier,
|
2016
|
Naphthodiaza-crown.
|
|
|
3
|
مقاله
|
Evaluation of hydrogen bonds formation in the selected rare sugars based on 6-31G* and 6–311 + + G(d,p) basis sets
|
Mosapour Kotena, Z.
|
Springer Science and Business Media Deutschland GmbH,
|
2021
|
DFT.
|
|
|
4
|
مقاله
|
Theoretical study of protic solvents hydrogen bonding effect, on the reaction of cyclopentadiene and vinyl acetate; apart from the bulk properties
|
Irani, M.
|
|
|
Hydrogen bonding.
|
|
|
5
|
مقاله
|
Conformational aspects of glutathione tripeptide: Electron density topological & natural bond orbital analyses
|
Aliakbar Tehrani, Z.
|
|
2013
|
Ramachandran map.
|
|
|
6
|
مقاله
|
Theoretical study of protic solvents hydrogen bonding effect, on the reaction of cyclopentadiene and vinyl acetate; apart from the bulk properties
|
Irani, M.
|
|
2009
|
Solvent effects.
|
|
|
7
|
مقاله
|
Neutral intramolecular hydrogen-bonded bases
|
Tian, Z.
|
|
2009
|
Super bases.
|
|
|
8
|
مقاله
|
Influence of remote intramolecular hydrogen bonding on the acidity of hydroxy-1,4-benzoquinonederivatives: A DFT study
|
Bayat, A.
|
John Wiley and Sons Ltd,
|
2019
|
Hydrogen bonds.
|
|
|
9
|
مقاله
|
Synthesis and crystal structure of bis (tetrabutylammonium)(4,4′- azodi(phenylcyanamide)) salt • [(n-Bu)4N] 2[azodicyd2-] • H2O
|
Boghaei, D. M.
|
|
2008
|
Crystal structure.
|
|
|
10
|
مقاله
|
Hydrogen bonding effects on acidity enhancement of barbiturates and their metabolites in gas and solution phase, a DFT study
|
Daneshfar, M.
|
Elsevier B.V,
|
2021
|
PKa.
|
|
|
11
|
مقاله
|
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
|
Najdian, A.
|
|
|
Hydrogen bonds.
|
|
|
12
|
مقاله
|
Interactions of glutathione tripeptide with gold cluster: Influence of intramolecular hydrogen bond on complexation behavior
|
Tehrani, Z. A.
|
|
2012
|
Oligopeptides.
|
|
|
13
|
مقاله
|
Acidity enhancement of α-carbon of beta diketones via hydroxyl substituents: A density functional theory study
|
Rahimi, M.
|
John Wiley and Sons Ltd,
|
2021
|
Density functional theory.
|
|
|
14
|
مقاله
|
Synthesis and characterization of a new group of Exo-coordinating o2n2-donor macrocycles
|
Ghanbari, B.
|
CSIRO,
|
2016
|
Hydrogen bonds.
|
|
|
15
|
مقاله
|
CO2 separation by supported liquid membranes synthesized with natural deep eutectic solvents
|
Saeed, U.
|
Springer Science and Business Media Deutschland GmbH,
|
2021
|
Solvents.
|
|
|
16
|
مقاله
|
Solute-solvent interaction effects on second-order rate constants of reaction between 1-chloro-2,4-dinitrobenzene and aniline in alcohol-water mixtures
|
Harati, M.
|
|
2005
|
Solvents.
|
|
|
17
|
پایان نامه
|
سنتز نانوذرات فتالوسیانین فلزی و کاربرد آن ها در اکسایش ترکیب های آلی و بررسی تاثیر پیوند هیدروژنی بر روی قدرت بازی آمین ها و برهم کنش های مولکولی بر روی افزایش قدرت اسیدی الکل ها
Synthesis of Metallophthalocyanine Nanoparticls and Its Application in the Oxidation of Organic Compounds,and Investigation of Hydrogen Bonding Effect on the Basicity of Amines and Orbital Interactions on Acidity Enhacment of Alcohols
|
خیرجو، سمیه Kheirjou, Somayyeh
|
صنعتی شریف
|
1393
|
الکل Alcohol
/ اکسایش Oxidation
/ قدرت اسیدی Acidity
/ پیوند هیدروژنی Hydrogen Bond
/ نانوذرات فتالوسیانین Phthalocyanine Nanoparticles
|
03-46381
|
|
18
|
مقاله
|
Thermochemical properties of some vinyl chloride-induced DNA lesions: Detailed view from NBO & AIM analysis
|
Tehrani, Z. A.
|
|
2012
|
Escherichia coli.
|
|
|
19
|
مقاله
|
Can anion interaction accelerate transformation of cytosine tautomers? Detailed view form QTAIM analysis
|
Jebeli Javan, M.
|
|
|
Tautomerization.
|
|
|
20
|
مقاله
|
Influence of a β-OH substituent on SN2 reactions of fluoroethane: Intramolecular hydrogen bonding catalysis or inhibition? A theoretical study
|
Ahmadi, A. A.
|
|
|
Theoretical study.
|
|
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