Papers matching “computational methods” 4,789
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Magnetic anisotropy and structural flexibility in the field-induced single ion magnets [Co{(OPPh 2 )(EPPh 2 )N} 2 ], E = S, Se, explored by experimental and computational methods
Eleftherios Ferentinos, Demeter Tzeli, Silvia Sottini, E. J. J. Groenen, Mykhaylo Ozerov, Giordano Poneti, +3 more
15citations -
Proceeding on the riddles of ketene pyrolysis by applying ab initio quantum chemical computational methods in a detailed kinetic modeling study2020 Proceedings of the Combustion Institute article Chemical Engineering Advanced Combustion Engine Technologies
Heiko Minwegen, Malte Döntgen, Yann Fenard, Philipp Morsch, Karl Alexander Heufer
13citations -
Efficient Implementation of Modern Entropy Stable and Kinetic Energy Preserving Discontinuous Galerkin Methods for Conservation Laws2023 ACM Transactions on Mathematical Software article Engineering Computational Fluid Dynamics and Aerodynamics Open access
Hendrik Ranocha, Michael Schlottke‐Lakemper, Jesse Chan, Andrés Mauricio Rueda-Ramírez, Andrew Ross Winters, Florian Hindenlang, +1 more
19citations -
Benchmarking quantum chemical methods for accurate gas-phase structure predictions of carbonyl compounds: the case of ethyl butyrate2023 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access
Lilian W. Sutikdja, Ha Vinh Lam Nguyen, Dragan Jelisavac, Wolfgang Stahl, Halima Mouhib
8citations -
On Error-Based Step Size Control for Discontinuous Galerkin Methods for Compressible Fluid Dynamics2023 Communications on Applied Mathematics and Computation article Engineering Computational Fluid Dynamics and Aerodynamics Open access
Hendrik Ranocha, Andrew Ross Winters, Hugo G. Castro, Lisandro Dalcín, Michael Schlottke‐Lakemper, Gregor J. Gassner, +1 more
14citations -
Critical examination of current response shift methods and proposal for advancing new methods2021 Quality of Life Research article Economics, Econometrics and Finance Health Systems, Economic Evaluations, Quality of Life Open access
Véronique Sebille, Lisa Marie Lix, Olawale F. Ayilara, Tolulope T. Sajobi, A. Cecile J.W. Janssens, Richard G. Sawatzky, +2 more
48citations