Unraveling the Bonding and Aromaticity of Pentazole, Pentaphosphole, and Cyclopentadiene Anions: A Comprehensive Study.

Autor: Jain S; University of Stuttgart, Institute for Theoretical Chemistry, Pfaffenwaldring 55, 70569 Stuttgart, Germany., Danovich D; Institute of Chemistry, The Hebrew University of Jerusalem, Edmond J. Safra Campus, Givat Ram, Jerusalem 9190401, Israel., Radenković S; Faculty of Science, University of Kragujevac, Radoja Domanovica 12, P.O. Box 60, 34000 Kragujevac, Serbia., Shaik S; Institute of Chemistry, The Hebrew University of Jerusalem, Edmond J. Safra Campus, Givat Ram, Jerusalem 9190401, Israel.

Publikováno v: Journal of the American Chemical Society [J Am Chem Soc] 2024 Dec 19. Date of Electronic Publication: 2024 Dec 19.

A Gravitational-like Relationship of Dispersion Interactions is Exhibited by 40 Pairs of Molecules and Noble Gas Atoms.

Autor: Danovich D; Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem 9190401, Israel., Tkatchenko A; Department of Physics and Materials Science, University of Luxembourg, L-1511 Luxembourg City, Luxembourg., Alvarez S; Inorganic Chemistry Department, Facultat de Química, Universitat de Barcelona, Martí i Franquès 1-11, 08028 Barcelona, Spain., Shaik S; Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem 9190401, Israel.

Publikováno v: Journal of the American Chemical Society [J Am Chem Soc] 2024 Nov 13; Vol. 146 (45), pp. 31198-31204. Date of Electronic Publication: 2024 Oct 31.

Dinitrogen Activation within Frustrated Lewis Pairs Is Promoted by Adding External Electric Fields.

Autor: Jain S; Institute of Chemistry, The Hebrew University of Jerusalem, Edmond J. Safra Campus, Givat Ram, Jerusalem 9190401, Israel., Danovich D; Institute of Chemistry, The Hebrew University of Jerusalem, Edmond J. Safra Campus, Givat Ram, Jerusalem 9190401, Israel., Shaik S; Institute of Chemistry, The Hebrew University of Jerusalem, Edmond J. Safra Campus, Givat Ram, Jerusalem 9190401, Israel.

Publikováno v: The journal of physical chemistry. A [J Phys Chem A] 2024 Jun 13; Vol. 128 (23), pp. 4595-4604. Date of Electronic Publication: 2024 May 22.

Sulfonium Cation in the Service of π-Acid Catalysis.

Autor: Li R; Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, Israel., Zafar M; Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, Israel., Danovich D; Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, Israel., Subramaniyan V; Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, Israel., Tibika F; Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, Israel., Tulchinsky Y; Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, Israel.

Publikováno v: Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2024 Jan 08; Vol. 63 (2), pp. e202314997. Date of Electronic Publication: 2023 Dec 08.

Dichotomy of Delocalization/Localization and Charge-Shift Bonding in Germanazene and its Heavier Group 14 Analogues: a Valence Bond Study.

Autor: Jain S; Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, Israel., Danovich D; Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, Israel., Radenković S; Faculty of Science, University of Kragujevac, 12 Radoja Domanovica, 34000, Kragujevac, Serbia., Shaik S; Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, Israel.

Publikováno v: Chemistry (Weinheim an der Bergstrasse, Germany) [Chemistry] 2023 Jun 27; Vol. 29 (36), pp. e202300992. Date of Electronic Publication: 2023 May 05.