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1دورية أكاديمية
المؤلفون: Meenu Upadhyay (10290216), Markus Meuwly (1433455)
مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Pharmacology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, nanosecond time scale, experimentally measured rate, 182 ± 66, vibrationally activated decomposition, thermally prepared reactants, experimentally reported yields, dissociation energy (<, actual rates depend, full reaction pathway, estimated thermal rate, choo criegee intermediate, oo sup, 3 sup, 3 sub, 2 sub, vhp eliminate oh, oh elimination rates, oh yields, oh elimination, vibrationally excited, reaction times, reactants influences
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2دورية أكاديمية
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3
المؤلفون: Silvan Käser (10290213), Eric Boittier (10288241), Meenu Upadhyay (10290216), Markus Meuwly (1433455)
مصطلحات موضوعية: Ecology, Science Policy, Plant Biology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Physical Chemistry, Machine Learning, Neural Network, VPT2, Quantum Chemistry, Potential Energy Surface
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4دورية أكاديمية
المؤلفون: Silvan Käser (9261566), Eric D. Boittier (6329909), Meenu Upadhyay (10290216), Markus Meuwly (1433455)
مصطلحات موضوعية: Biophysics, Ecology, Plant Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, CH 3 OH, Anharmonic Frequencies, MP 2 PESs, VPT 2 yields anharmonic frequencies, NN-learned models, near-equilibrium PESs, VPT 2 approach, H 2 CO, CH 3 COOH, Transfer Learning, acetic acid, HCOOH, frequency, OH-bend mode, formic acid monomer, energy surfaces, cm, CH 3, CCSD, anharmonic modes, VPT 2 frequencies, OH torsional modes, quality PES, coupled-cluster quality anharmonic .