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# 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.