Sage Journals: Discover world-class research

Free access

Research article

First published 2013-9

A Theoretical Study of the Mechanism and Kinetics of the Thermal Decomposition of Carbamoyl Azide

Adel Reisi-Vanani, Mohammad Izadyar

Progress in Reaction Kinetics and Mechanism

Free access

Research article

First published 2017-5

A Theoretical Investigation of the Decomposition and Reactivity of the CHF 2 CF 2 CF 2 OCH 2 O• Radical from HFE-356pcc3 between 200 and 400 K

Sajedin Hoseinpour, Hossein Izadi-Vasafi, Mona Azimi [...]

Progress in Reaction Kinetics and Mechanism

Retricted access

Letter

First published 2017-2

Nudged elastic band method and density functional theory calculation for finding a local minimum energy pathway of p -benzoquinone and phenol fragmentation in mass spectrometry

Natsuhiko Sugimura, Yoko Igarashi, Reiko Aoyama [...]

European Journal of Mass Spectrometry

Retricted access

Research article

First published 1990-06

Visual Simulation of a Chemical Reaction

Akio Koide

The International Journal of High Performance Computing Applications

Retricted access

Research article

First published 2022-07-12

A detailed kinetic study on the tautomerization reactions of barbituric acid: A combined DFT-QTAIM analysis

Narjes Hajali, Afshin Taghva Manesh, Ahmad Seif

Main Group Chemistry

Retricted access

Research article

First published 2005-4

Intrinsic Risk Factors for Inversion Ankle Sprains in Male Subjects

Tine Marieke Willems, Erik Witvrouw, Kim Delbaere [...]

The American Journal of Sports Medicine

Free access

Research article

First published 2020

An electron localization function analysis of the molecular mechanism and the C–O bond formation in the [3+2] cycloaddition reaction involving zwitterionic type between a nitrone and an electron deficient ethyne

Abdelilah Benallou, Habib El Alaoui El Abdallaoui, Hocine Garmes

Progress in Reaction Kinetics and Mechanism

Free access

Research article

First published 2010-12

Thermodynamics and Dynamic Kinetics of the Oxidation of Selenomethionine to Methionine Selenoxide: A Dft Study

Qingyang Liu, Yiling Bei

Progress in Reaction Kinetics and Mechanism

Free access

Research article

First published 2017-12

Theoretical Investigation of the Kinetic Effect of the 1-Ethylpyridinium Trifluoroacetate Ionic Liquid in the Acceleration of Diels–Alder Reactions of Isoprene with Acrylic Acid and Acrylonitrile

Hafida Chemouri, Sidi Mohamed Mekelleche

Progress in Reaction Kinetics and Mechanism

Free access

Research article

First published 2017-2

DFT Study of the Spin-Forbidden Reaction of N 2 O with CO Catalysed by Y + Ions

Yongchun Tong, Qingyun Wang, Xinjian Xu [...]

Progress in Reaction Kinetics and Mechanism

Search results