المؤلفون: Joseph P. Heindel, Kristina M. Herman, Edoardo Aprà, Sotiris S. Xantheas

مصطلحات موضوعية: Biophysics, Biochemistry, Pharmacology, Biotechnology, Evolutionary Biology, Immunology, Chemical Sciences not elsewhere classified, 5Z, 1978 basis functions, encapsulation, implementation, benchmark binding energies, National Energy Research Supercompu, electron, cage, method, BSSE, CO 2, order M øller, interaction, CBS, kcal, Benchmark MP 2, guest, CCSD, H 2 O, H 2 S, DFT, 0.1, gas molecules CH 4

Relation: https://doi.org/10.1021/acs.jpclett.1c01884.s001

الاتاحة: https://doi.org/10.1021/acs.jpclett.1c01884.s001