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Angewandte Chemie (International ed.), ISSN 1433-7851, 04/2016, Volume 55, Issue 17, pp. 5235 - 5237
The ab initio prediction of reaction rate constants for systems with hundreds of atoms with an accuracy that is comparable to experiment is a challenge for computational quantum chemistry... 
ab initio calculations | zeolites | anharmonic vibrations | transition states | free energy calculations | Density functionals | Methylation | Zeolites | Force and energy | Communications | Communication
Journal Article
Proceedings of the Combustion Institute, ISSN 1540-7489, 2019, Volume 37, Issue 1, pp. 145 - 152
The rate constants for the reaction H + O2 + M→HO2 + M were investigated at elevated pressures from 12 to 33... 
Shock tube | Ignition delay time hydroperoxyl radical rate constant | High pressure
Journal Article
Free Radical Research, ISSN 1071-5762, 10/2018, Volume 52, Issue 10, pp. 1118 - 1131
.... In this study, we developed new quantitative structure-property relationship (QSPR) models for the prediction of the aqueous-phase rate constant for the reaction... 
frontier molecular orbital | hydroperoxyl | radicals | antioxidants | reaction rate constant | quantitative structure-property relationship | Superoxide | kinetics | organic chemicals
Journal Article
Journal of membrane science, ISSN 0376-7388, 03/2014, Volume 454, pp. 505 - 515
... at constant permeate flux, and there are few reports comparing these modes of operation. In this study, emulsified oil fouling of polysulfone ultrafiltration membranes... 
Critical flux | Constant transmembrane pressure | Threshold flux | Fouling | Ultrafiltration | Constant flux | POLYMER SCIENCE | PERFORMANCE | REVERSE-OSMOSIS MEMBRANES | FILTRATION | CROSS-FLOW MICROFILTRATION | ENGINEERING, CHEMICAL | OIL/WATER SEPARATION | PERMEATE FLUX | BOVINE SERUM-ALBUMIN | WATER | Adsorption | Comparative analysis | Membranes | Filtration | Flux | Fluxes | Transport | Mass transfer
Journal Article
Journal of computational chemistry, ISSN 0192-8651, 2014, Volume 35, Issue 1, pp. 82 - 93
...), thermal equilibrium constants, transition state theory rate coefficients (transition state theory (TST... 
quantum chemistry | RRKM | rate constant | thermochemistry | statistical mechanics | transition state theory | Transition state theory | Thermochemistry | Quantum chemistry | Rate constant | Statistical mechanics | PATH | STATES | WELL | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
2011, 1. Aufl., ISBN 0470582308, 360
Providing an overview of the latest computational approaches to estimate rate constants for thermal reactions, this book addresses the theories behind various first-principle and approximation methods... 
Life Sciences | Biochemistry | SCIENCE | Numerical calculations | Effect of temperature on | Mathematics | Thermochemistry | Chemical kinetics
eBook
Metrologia, ISSN 0026-1394, 02/2017, Volume 54, Issue 1, pp. 36 - 50
The hypothesis that seasonal changes in proximity to the Sun cause variation of decay constants at permille level has been tested for radionuclides disintegrating through electron capture and beta plus decay... 
decay constant | neutrino | uncertainty | half-life | Sun | radioactivity | RATES | INSTRUMENTS & INSTRUMENTATION | PHYSICS, APPLIED | IONIZATION-CHAMBER | Nuclear Experiment | Physics
Journal Article
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, ISSN 1463-9076, 10/2019, Volume 21, Issue 4, pp. 2223 - 22237
Journal Article
The European physical journal. C, Particles and fields, ISSN 1434-6052, 2014, Volume 74, Issue 9, pp. 1 - 179
Journal Article