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Research article

First published 2026

Structural,vibrational,and electronic properties of 2-methyl-5-nitro-1 H -benzimidazole-6-amine: An experimental and theoretical approach

Seda Kulen

Main Group Chemistry

Free access

Research article

First published 2012-3

Simulation of Intramolecular Hydrogen Bond Dynamics in Manzamine A as a Sensitive Test for Charge Distribution Quality

Dmitry A. Shulga, Dmitry I. Osolodkin, Vladimir A. Palyulin [...]

Natural Product Communications

Open access

Research article

First published 2018-11

Rethinking enrichments of trace element in low-rank coals: Preliminarily quantifying the effectiveness of local structure to stabilize humates

Le-Cai Xing, Hong-Tao He, Bo-Hui Xu [...]

Energy Exploration & Exploitation

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Research article

First published 2011-8

Kinetic and Quantum Chemical Studies on the Esterification of Acetic Acid with N-Butanol Catalysed by a Nay Zeolite-Supported Organophosphonic Acid

Lei Chen, Ping Yin, Yucai Hu [...]

Progress in Reaction Kinetics and Mechanism

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Other

First published 2002-8

Theoritical ab initio study of Internal Rotation Barriers,Structures Stabilities and Population of Formamide †

Majid Monajjemi, Halleh H. Haeri, Malihe T. Azad

Journal of Chemical Research

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Research article

First published 2017-9

Prediction of the Regioselectivity of 1,3-Dipolar Cycloaddition Reactions of Nitrile Oxides with 2(5 H )-Furanones Using Recent Theoretical Reactivity Indices

Imad Eddine Charif, Wafaa Benchouk, Sidi Mohamed Mekelleche

Progress in Reaction Kinetics and Mechanism

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Research article

First published 2015-12

Bonding and Spectral Character of Cr Doped Cdte,Cdse and Cds Nano-Clusters

Shuhong Xu, Jinhua Du, Chunlei Wang [...]

Journal of Chemical Research

Open access

Research article

First published 2021

Electron-Scale Insights into the Single and Coadsorption Cd(II) Behaviors of a Metal-Nonmetal-Modified Titanium Dioxide

Jingjing Ren, Liuchun Zheng, Feixiong Yang [...]

Adsorption Science & Technology

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Research article

First published 2018-10

A Density Functional Theory Study of NH 3 and NO Adsorption on the β-MnO 2 (110) Surface

Hao Meng, Xu Wu, Chao Ci [...]

Progress in Reaction Kinetics and Mechanism

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Research article

First published 2014-2

Theoretical study of Schiff base compounds as antiwear lubricant additives: A quantum chemical calculation approach

Rashmi B Rastogi, Vinay Jaiswal, Jiya L Maurya

Proceedings of the Institution of Mechanical Engineers,Part J: Journal of Engineering Tribology

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