المؤلفون: Konstantin F. Suzdalev (11217603), Julia V. Vyalyh (7474085), Valery V. Tkachev (1916929), Ekaterina A. Lysenko (11217606), Oleg N. Burov (2053717), Anton V. Lisovin (7474091), Mikhail E. Kletskii (2496400), Sergey V. Kurbatov (7474094)

مصطلحات موضوعية: Biophysics, Biochemistry, Microbiology, Genetics, Pharmacology, Cancer, Hematology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, 2- methyl -3-acylindoles, Carbon Disulfide, PCM, Li atom, PBE, 1PBE, indole core, lithium diisopropyl amide, MP, One-Pot Route, thiopyrane ring, aim calculations, thione, 2- methyl group, ion-pair formation, CS 2, Lithium-Promoted Cycloaddition

Relation: https://figshare.com/articles/journal_contribution/Lithium-Promoted_Cycloaddition_of_Indole-2_3-dienolates_and_Carbon_Disulfide_as_a_One-Pot_Route_to_Thiopyrano_4_3_i_b_i_indole-3_5_i_H_i_thiones/15090750

الاتاحة: https://doi.org/10.1021/acs.joc.1c01200.s001

المؤلفون: Mikhail Yu. Ovchinnikov (11301265), Sergey L. Khursan (1999597)

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Sociology, Inorganic Chemistry, Infectious Diseases, Plant Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, dielectric continuum theory, PCM, 1PBE, PBE, Nonequilibrium Thermodynamic Parameters, reference activation parameters, DFT, solvation model, BEP-like correction technique, Ab Initio Study, polarizable continuum model, TFA, DLPNO-CCSD

Relation: https://figshare.com/articles/journal_contribution/BEP-Like_Correction_of_Nonequilibrium_Thermodynamic_Parameters_of_the_Solvent-Assisted_Reactions_The_DFT_and_i_Ab_Initio_i_Study_of_Hydration_Peroxidation_and_Enolization_of_Acetone_and_1_1_1-Trifluoroacetone_in_Aqueous_Solutions/15369544

الاتاحة: https://doi.org/10.1021/acs.jpca.1c04501.s001

المؤلفون: Preston T. Snee

مصطلحات موضوعية: Biophysics, Cell Biology, Molecular Biology, Ecology, Sociology, Space Science, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, geometry optimization procedure, Open-Shell Singlet Ground States De, open-shell singlet ground states, Several quantum dot-sized models, ground states, M 06-2x level, 1PBE, PBE, COOH, InCl 3, NH, ZnCl 2, InP Quantum Dots, DFT, cluster, fact diamagnetic singlets, QD, phil, socio

Relation: https://doi.org/10.1021/acs.jpcc.1c02874.s001

الاتاحة: https://doi.org/10.1021/acs.jpcc.1c02874.s001