A Molecular Engineering Approach to Conformationally Regulated Conductance Dualism in a Molecular Junction.

Autor: Nau M; Department of Chemistry, University of Konstanz, Universitätsstraße 10, 78464, Konstanz, Germany., Bro-Jørgensen W; Nano-Science Center and Department of Chemistry, University of Copenhagen, Universitetsparken 5, 2100, København Ø, Denmark., Linseis M; Department of Chemistry, University of Konstanz, Universitätsstraße 10, 78464, Konstanz, Germany., Bodensteiner M; Faculty of Chemistry and Pharmacy, University of Regensburg, Universitätsstraße 31, 93053, Regensburg, Germany., Winter RF; Department of Chemistry, University of Konstanz, Universitätsstraße 10, 78464, Konstanz, Germany., Solomon GC; Nano-Science Center and Department of Chemistry, University of Copenhagen, Universitetsparken 5, 2100, København Ø, Denmark.; NNF Quantum Computing Programme, Niels Bohr Institute, University of Copenhagen, 2100, København Ø, Denmark.

Publikováno v: Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2024 Dec 04, pp. e202417796. Date of Electronic Publication: 2024 Dec 04.

A Strategy for Modeling Nonstatistical Reactivity Effects: Combining Chemical Activation Estimates with a Vibrational Relaxation Model.

Autor: Rožić T; Nano-Science Center and Department of Chemistry, University of Copenhagen, DK-2100 Copenhagen, Denmark., Teynor MS; Nano-Science Center and Department of Chemistry, University of Copenhagen, DK-2100 Copenhagen, Denmark.; NNF Quantum Computing Programme, Niels Bohr Institute, University of Copenhagen, DK-2100 Copenhagen, Denmark., Došlić N; Department of Physical Chemistry, Ruder Bošković Institute, HR-10000 Zagreb, Croatia., Leitner DM; Department of Chemistry, University of Nevada, Reno, Nevada 89557, United States., Solomon GC; Nano-Science Center and Department of Chemistry, University of Copenhagen, DK-2100 Copenhagen, Denmark.; NNF Quantum Computing Programme, Niels Bohr Institute, University of Copenhagen, DK-2100 Copenhagen, Denmark.

Publikováno v: Journal of chemical theory and computation [J Chem Theory Comput] 2024 Oct 22; Vol. 20 (20), pp. 9048-9059. Date of Electronic Publication: 2024 Oct 02.

Making the Most of Nothing: One-Class Classification for Single-Molecule Transport Studies.

Autor: Bro-Jørgensen W; Department of Chemistry and Nano-Science Center, University of Copenhagen, Universitetsparken 5, Copenhagen Ø DK-2100, Denmark., Hamill JM; Department of Chemistry and Nano-Science Center, University of Copenhagen, Universitetsparken 5, Copenhagen Ø DK-2100, Denmark., Mezei G; Department of Physics, Institute of Physics, Budapest University of Technology and Economics, Műegyetem rkp. 3., Budapest H-1111, Hungary.; ELKH-BME Condensed Matter Research Group, Műegyetem rkp. 3., Budapest H-1111, Hungary., Lawson B; Department of Physics, Chemistry and Division of Material Science and Engineering, Boston University, Boston, Massachusetts 02215, United States., Rashid U; Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India., Halbritter A; Department of Physics, Institute of Physics, Budapest University of Technology and Economics, Műegyetem rkp. 3., Budapest H-1111, Hungary.; ELKH-BME Condensed Matter Research Group, Műegyetem rkp. 3., Budapest H-1111, Hungary., Kamenetska M; Department of Physics, Chemistry and Division of Material Science and Engineering, Boston University, Boston, Massachusetts 02215, United States., Kaliginedi V; Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India., Solomon GC; Department of Chemistry and Nano-Science Center, University of Copenhagen, Universitetsparken 5, Copenhagen Ø DK-2100, Denmark.; NNF Quantum Computing Programme, Niels Bohr Institute, University of Copenhagen, Jagtvej 155 A, Copenhagen N DK-2200, Denmark.

Publikováno v: ACS nanoscience Au [ACS Nanosci Au] 2024 Jun 06; Vol. 4 (4), pp. 250-262. Date of Electronic Publication: 2024 Jun 06 (Print Publication: 2024).

Early-Career and Emerging Researchers in Physical Chemistry Volume 2.

Autor: Alexandrova AN, Biteen JS, Coriani S, Geiger FM, Gewirth AA, Goward GR, Guo H, Huang L, Li JF, Liedl T, Link S, Liu ZP, Maiti S, Orr-Ewing AJ, Osborn DL, Pfaendtner J, Roux B, Schmid F, Schmidt JR, Schneider WF, Slipchenko LV, Solomon GC, van Bokhoven JA, Van Speybroeck V, Ye S, Crawford TD, Zanni MT, Hartland GV, Shea JE

Publikováno v: The journal of physical chemistry. A [J Phys Chem A] 2023 Nov 02; Vol. 127 (43), pp. 8967-8970.

Simultaneous Suppression of pi- and sigma- Transmission in pi-Conjugated Molecules

Autor: Solomon Gc, Marc H. Garner

Molecular dielectric materials require ostensibly conflicting requirements of high polarizability and low conductivity. As previous efforts towards molecular insulators focused on saturated molecules, it remains an open question whether pi- and sigma

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::cf010961364144078174d6407b849fae
https://doi.org/10.26434/chemrxiv.12416042.v2