Challenging The Limits Of Molecular Quantum Interference Effects

Project Information

QLIMIT

Grant agreement ID: 865870

DOI

10.3030/865870

EC signature date 16 March 2020

Start date 1 June 2020

End date 31 May 2026

Funded under

• EXCELLENT SCIENCE - European Research Council (ERC)

Total cost

€ 1 999 468,00

EU contribution

€ 1 999 468,00

Coordinated by

KOBENHAVNS UNIVERSITET
Denmark

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Publications

Peer reviewed articles (11)

Understanding Current Density in Molecules Using Molecular Orbitals

Author(s): William Bro-Jørgensen, Gemma C. Solomon
Published in: The Journal of Physical Chemistry A, Issue 127, 2024, Page(s) 9003-9012, ISSN 1089-5639
Publisher: American Chemical Society
DOI: 10.1021/acs.jpca.3c04631

Trusting our machines: validating machine learning models for single-molecule transport experiments

Author(s): William Bro-Jørgensen; Joseph M. Hamill; Rasmus Bro; Gemma C. Solomon
Published in: Chem. Soc. Rev., Issue 51, 2022, Page(s) 6875-6892, ISSN 0306-0012
Publisher: Royal Society of Chemistry
DOI: 10.1039/d1cs00884f

Visualizing and comparing quantum interference in the <i>π</i>-system and <i>σ</i>-system of organic molecules

Author(s): Ning Cao, William Bro-Jørgensen, Xiaohong Zheng, Gemma C. Solomon
Published in: The Journal of Chemical Physics, Issue 158, 2023, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0141577

Chemistry of the Au–Thiol Interface through the Lens of Single-Molecule Flicker Noise Measurements

Author(s): Umar Rashid, William Bro-Jørgensen, KB Harilal, PA Sreelakshmi, Reetu Rani Mondal, Varun Chittari Pisharam, Keshaba N. Parida, K. Geetharani, Joseph M. Hamill, Veerabhadrarao Kaliginedi
Published in: Journal of the American Chemical Society, Issue 146, 2024, Page(s) 9063-9073, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.3c14079

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

Author(s): Moritz Nau, William Bro‐Jørgensen, Michael Linseis, Michael Bodensteiner, Rainer F. Winter, Gemma C. Solomon
Published in: Angewandte Chemie International Edition, 2024, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202417796

High Molecular Conductance and Inverted Conductance Decay over 3 nm in Aminium-Terminated Carbon-Bridged Oligophenylene-Vinylenes

Author(s): Luisa K. I. Rieger, Susanne Leitherer, William Bro-Jørgensen, Gemma C. Solomon, Rainer F. Winter
Published in: Journal of the American Chemical Society, Issue 147, 2025, Page(s) 957-964, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.4c13901

Quantification of the Helicality of Helical Molecular Orbitals

Author(s): William Bro-Jørgensen, Marc H. Garner, and Gemma C. Solomon
Published in: The Journal of Physical Chemistry A, Issue 125, 2021, Page(s) 8107–8115, ISSN 1089-5639
Publisher: American Chemical Society
DOI: 10.1021/acs.jpca.1c05799

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

Author(s): William Bro-Jørgensen, Joseph M. Hamill, Gréta Mezei, Brent Lawson, Umar Rashid, András Halbritter, Maria Kamenetska, Veerabhadrarao Kaliginedi, Gemma C. Solomon
Published in: ACS Nanoscience Au, Issue 4, 2024, Page(s) 250-262, ISSN 2694-2496
Publisher: American Chemical Society
DOI: 10.1021/acsnanoscienceau.4c00015

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

Author(s): Tomislav Rožić, Matthew S. Teynor, Nađa Došlić, David M. Leitner, Gemma C. Solomon
Published in: Journal of Chemical Theory and Computation, Issue 20, 2024, Page(s) 9048-9059, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.4c01011

Intermolecular Interactions and Quantum Interference Effects in Molecular Junctions

Author(s): Louise O. H. Hyllested, Idunn Prestholm, Gemma C. Solomon
Published in: ACS Nanoscience Au, Issue 4, 2024, Page(s) 426-434, ISSN 2694-2496
Publisher: American Chemical Society
DOI: 10.1021/acsnanoscienceau.4c00041

Electric Field-Induced Sequential Prototropic Tautomerism in Enzyme-like Nanopocket Created by Single Molecular Break Junction

Author(s): PA Sreelakshmi, Rahul Mahashaya, Susanne Leitherer, Umar Rashid, Joseph M. Hamill, Manivarna Nair, Pachaiyappan Rajamalli, Veerabhadrarao Kaliginedi
Published in: Journal of the American Chemical Society, Issue 146, 2024, Page(s) 35242-35251, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.4c12423