IR, Raman spectroscopic, DFT, AIM and NCI characterization of O-H‧‧‧O/π‧‧‧π bonds in dimer and trimer species as computed from MD simulations in water for Protocatechuic acid-Reference-Cited by-同舟云学术

IR, Raman spectroscopic, DFT, AIM and NCI characterization of O-H‧‧‧O/π‧‧‧π bonds in dimer and trimer species as computed from MD simulations in water for Protocatechuic acid

Published:2024-03 Issue: Volume:1299 Page:137077
ISSN:0022-2860
Container-title:Journal of Molecular Structure
language:en
Short-container-title:Journal of Molecular Structure

Author:

Bhovi Jyoti,Tonannavar J.,Tonannavar Jayashree J.

Publisher

Elsevier BV

Subject

Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry

Reference55 articles.

1. A review on protocatechuic acid and its pharmacological potential;Kakkar;ISRN Pharmacol.,2014

2. Analysis of structure and vibrational spectra of 2,5-dihydroxybenzoicacid based on density functional theory calculations;Krishnakumar;J. Raman Spectrosc.,2010

3. Experimental and theoretical study on benzoic acid derivatives;Świsłocka;J. Mol. Struct.,2013

4. Protocatechuic acid as a potent anticarcinogenic compound in purple rice bran against diethylnitrosamine-initiated rat hepatocarcinogenesis;Punvittayagul;Sci. Rep.,2022

5. PH effect on the enthalpy of dilution and volumetric properties of protocatechuic acid at T = 298.15 K;Zheng;J. Chem. Thermodyn.,2014

Cited by 3 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Unveiling the molecular insights of 2-(carboxymethyl) benzoic acid: A density functional theory approach towards structural and biological attributes;Journal of Molecular Liquids;2024-09

2. Drying kinetics and energy efficiency of Y2O3–CeO2 co-doped ZrO2 powder under microwave heating;Ceramics International;2024-08

3. Non-Covalent Interactions, Reactivity Analysis, Electronic Transition, Nlo by Quantum Computational Approach, and Molecular Docking Studies Of 2-Hydroxy-4-Hydrazinopyrimidine;2024