受强制性开放获取政策约束的文章 - Malte Döntgen了解详情
无法在其他位置公开访问的文章：12 篇
Discussion of the separation of chemical and relaxational kinetics of chemically activated intermediates in master equation simulations
M Döntgen, K Leonhard
The Journal of Physical Chemistry A 121 (8), 1563-1570, 2017
强制性开放获取政策： German Research Foundation
Atomic partial charges as descriptors for barrier heights
M Döntgen, Y Fenard, KA Heufer
Journal of Chemical Information and Modeling 60 (12), 5928-5931, 2020
强制性开放获取政策： German Research Foundation
Hot β-scission of radicals formed via hydrogen abstraction
M Döntgen, LC Kröger, K Leonhard
Proceedings of the Combustion Institute 36 (1), 135–142, 2017
强制性开放获取政策： German Research Foundation
Solving the riddle of the high-temperature chemistry of 1, 3-dioxolane
A Wildenberg, M Döntgen, IS Roy, C Huang, B Lefort, L Le Moyne, ...
Proceedings of the Combustion Institute 39 (1), 705-713, 2023
强制性开放获取政策： German Research Foundation
Proceeding on the riddles of ketene pyrolysis by applying ab initio quantum chemical computational methods in a detailed kinetic modeling study
H Minwegen, M Döntgen, Y Fenard, P Morsch, KA Heufer
Proceedings of the Combustion Institute 38 (1), 749-755, 2021
强制性开放获取政策： German Research Foundation
Shock tube study of the pyrolysis kinetics of Di-and trimethoxy methane
M Döntgen, ME Fuller, S Peukert, D Nativel, C Schulz, KA Heufer, ...
Combustion and Flame 242, 112186, 2022
强制性开放获取政策： German Research Foundation
Kinetic investigations on the high-and low-temperature chemistry of ethyl acetate
P Morsch, M Döntgen, KA Heufer
Combustion and Flame 243, 111995, 2022
强制性开放获取政策： German Research Foundation
Reactions of chemically activated formic acid formed via HCO+ OH
M Döntgen, K Leonhard
The Journal of Physical Chemistry A 120 (11), 1819-1824, 2016
强制性开放获取政策： German Research Foundation
Experimental and chemical kinetic modeling study of trimethoxy methane combustion
M Döntgen, S Eckart, C Fritsche, H Krause, KA Heufer
Proceedings of the Combustion Institute 39 (1), 305-314, 2023
强制性开放获取政策： German Research Foundation
Theoretical Investigation of Key Properties of the Pyrolysis of Methyl, Ethyl, and Dimethyl Dioxolane Isomers
M Döntgen, A Wildenberg, KA Heufer
The Journal of Physical Chemistry A 126 (44), 8326-8336, 2022
强制性开放获取政策： German Research Foundation
Influence of oxygen atoms and ring strain on the low-temperature oxidation pathways of 1, 3-dioxolane
IS Roy, M Döntgen, C Huang, W Kopp, K Leonhard
The Journal of Physical Chemistry A 127 (13), 2992-2999, 2023
强制性开放获取政策： German Research Foundation
High-and low-temperature ignition delay time study and modeling efforts on vinyl acetate
P Morsch, M Döntgen, KA Heufer
Proceedings of the Combustion Institute 39 (1), 115-123, 2023
强制性开放获取政策： German Research Foundation
可在其他位置公开访问的文章：16 篇
Automated discovery of reaction pathways, rate constants, and transition states using reactive molecular dynamics simulations
M Döntgen, MD Przybylski-Freund, LC Kröger, WA Kopp, AE Ismail, ...
Journal of chemical theory and computation 11 (6), 2517-2524, 2015
强制性开放获取政策： German Research Foundation
Detailed kinetic modeling of dimethoxymethane. Part II: Experimental and theoretical study of the kinetics and reaction mechanism
S Jacobs, M Döntgen, ABS Alquaity, WA Kopp, LC Kröger, U Burke, ...
Combustion and Flame 205, 522-533, 2019
强制性开放获取政策： Science Foundation Ireland, Federal Ministry of Education and Research, Germany
Detailed kinetic modeling of dimethoxymethane. Part I: Ab initio thermochemistry and kinetics predictions for key reactions
WA Kopp, LC Kröger, M Döntgen, S Jacobs, U Burke, HJ Curran, ...
Combustion and Flame 189, 433-442, 2018
强制性开放获取政策： German Research Foundation
Automated chemical kinetic modeling via hybrid reactive molecular dynamics and quantum chemistry simulations
M Döntgen, F Schmalz, WA Kopp, LC Kröger, K Leonhard
Journal of chemical information and modeling 58 (7), 1343-1355, 2018
强制性开放获取政策： German Research Foundation
Assessing statistical uncertainties of rare events in reactive molecular dynamics simulations
LC Kröger, WA Kopp, M Döntgen, K Leonhard
Journal of Chemical Theory and Computation 13 (9), 3955-3960, 2017
强制性开放获取政策： German Research Foundation
Ab initio kinetics predictions for H-atom abstraction from diethoxymethane by hydrogen, methyl, and ethyl radicals and the subsequent unimolecular reactions
LC Kröger, M Döntgen, D Firaha, WA Kopp, K Leonhard
Proceedings of the Combustion Institute 37 (1), 275-282, 2019
强制性开放获取政策： German Research Foundation
A comprehensive experimental and kinetic modeling study of the combustion chemistry of diethoxymethane
S Jacobs, M Döntgen, ABS Alquaity, R Hesse, S Kruse, J Beeckmann, ...
Energy & Fuels 35 (19), 16086-16100, 2021
强制性开放获取政策： German Research Foundation
Ab initio kinetics predictions for H-atom abstraction from 2-butanone by H and CH3 and the subsequent unimolecular reactions
WA Kopp, U Burke, M Döntgen, LC Kröger, H Minwegen, KA Heufer, ...
Proceedings of the Combustion Institute 36 (1), 203–210, 2017
强制性开放获取政策： German Research Foundation
出版信息和资助信息由计算机程序自动确定