المؤلفون: James Shee (5470904), Matthias Loipersberger (7310846), Adam Rettig (9615846), Joonho Lee (1351974), Martin Head-Gordon (588951)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Sociology, Computational Biology, Astronomical and Space Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, transition metal thermochemistry, transition metal sets, transition metal complexes, mostly closed shell, molecule test sets, l7 test sets, regularization slightly degrades, gap dependent regularization, driven dispersion interactions, optimal parameter values, computational cost second, 2 , regularization serves, regularized second, additional cost, yield high, results suggest, renormalizing first, order correlations

Relation: https://figshare.com/articles/journal_contribution/Regularized_Second-Order_M_ller_Plesset_Theory_A_More_Accurate_Alternative_to_Conventional_MP2_for_Noncovalent_Interactions_and_Transition_Metal_Thermochemistry_for_the_Same_Computational_Cost/17209113

الاتاحة: https://doi.org/10.1021/acs.jpclett.1c03468.s001

المؤلفون: James Shee (5470904), Matthias Loipersberger (7310846), Adam Rettig (9615846), Joonho Lee (1351974), Martin Head-Gordon (588951)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Sociology, Computational Biology, Astronomical and Space Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, transition metal thermochemistry, transition metal sets, transition metal complexes, mostly closed shell, molecule test sets, l7 test sets, regularization slightly degrades, gap dependent regularization, driven dispersion interactions, optimal parameter values, computational cost second, 2 , regularization serves, regularized second, additional cost, yield high, results suggest, renormalizing first, order correlations

Relation: https://figshare.com/articles/dataset/Regularized_Second-Order_M_ller_Plesset_Theory_A_More_Accurate_Alternative_to_Conventional_MP2_for_Noncovalent_Interactions_and_Transition_Metal_Thermochemistry_for_the_Same_Computational_Cost/17209116

الاتاحة: https://doi.org/10.1021/acs.jpclett.1c03468.s002