Density functional theory and ab initio Hartree–Fock calculations the Structure of Phenyl salicylate

Emami, Mohammad and Teimouri, Abbas and Najafi3, Ali Reza (2008) Density functional theory and ab initio Hartree–Fock calculations the Structure of Phenyl salicylate. In: 11th Iranian Physical Chemistry Seminar-July 2008, July 2008, Ardabil, Iran.

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Abstract

Salicylates are the class of compounds that are widely valued for their pain killing, antipyretic and anti-inflammatory properties [1]. Recently, salicylic acid has been used primarily as an intermediate in the production of agrochemicals, dyes and colorants products [2]. Pharmacological effects and biotransformation pathways of salicylic acid and its derivatives are well known [3–6], and the effects of the structural features on the physico-chemical properties and on the bioactivity of these compounds were investigated in numerous theoretical and experimental studies [7–11]. Salicylic acid and its derivatives have recently become attractive to theoreticians as well as experimentalists since their structures are of some biological significance particularly in medicinal and enzyme chemistry [12].

Item Type: Conference or Workshop Item (Paper)
Persian Title: Density functional theory and ab initio Hartree–Fock calculations the Structure of Phenyl salicylate
Persian Abstract: -
Subjects: Divisions > Conferences > 11th Iranian Physical Chemistry Seminar- July 2008
Conferences > 11th Iranian Physical Chemistry Seminar- July 2008
Divisions: Conferences > 11th Iranian Physical Chemistry Seminar- July 2008
Subjects > Conferences > 11th Iranian Physical Chemistry Seminar- July 2008
Date Deposited: 17 Jun 2019 05:25
Last Modified: 17 Jun 2019 05:25
URI: http://repository.uma.ac.ir/id/eprint/6811

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