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Theoretical and Computational Chemistry

Working Paper

Theoretical Study of the Isotope Effect in Optical Rotation

Brian Faintich, Taylor Parsons, Ty Balduf, Marco Caricato

Version 2 posted 05 August 2024

155

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Analytical Chemistry

Working Paper

H/D Isotope Effects on Redox-Switching of DNA Self-Assembled Monolayers Observed by EQCM and Cyclic Voltammetry

Sarasi K. K. Galagedera, Gerd-Uwe Flechsig

Version 1 posted 15 October 2018

845

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1

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Earth, Space, and Environmental Chemistry

Working Paper

Effect of Metabolic Constraints on the Observable Isotope Fractionation Associated with Aerobic Biodegradation of Hexachlorocyclohexanes

Iris E. Schilling, Hans-Peter E. Kohler, Thomas Hofstetter

Version 1 posted 20 November 2019

453

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Physical Chemistry

Working Paper

Quantum-Induced Symmetry-Breaking in the Deuterated Dihydroanthracenyl Radical

Olha Krechkivska, Callan Wilcox, Klaas Nauta, Scott Kable, Timothy Schmidt

Version 1 posted 15 May 2019

473

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Organic Chemistry

Working Paper

Unimolecular, bimolecular and intramolecular hydrolysis mechanisms of 4-nitrophenyl β-D-glucopyranoside

Amani Alhifthi, Spencer Williams

Version 8 posted 10 June 2021

1,651

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Catalysis

Working Paper

Spectroscopic and Electrokinetic Evidence for a Bifunctional Mechanism of the Oxygen Evolution Reaction

Lichen Bai, seunghwa lee, Xile Hu

Version 2 posted 11 August 2020

1,701

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Physical Chemistry

Working Paper

The Density Matrix via Few Dominant Observables: The Quantum Interference in the Isotope Effect for Atto-Pumped N2

Ksenia Komarova, Francoise Remacle, Raphael D. Levine

Version 1 posted 13 April 2021

383

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Physical Chemistry

Working Paper

Electronic coherences steer the strong isotope effect in the ultrafast Jahn-Teller structural rearrangement of methane cation upon tunnel ionization

Martin Blavier, Ksenia Komarova, Cayo Goncalves, Raphael Levine, Francoise Remacle

Version 1 posted 22 July 2021

249

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Theoretical and Computational Chemistry

Working Paper

On the energy-specific photodissociation pathways of 14N2 and 14N15N isotopomers to N atoms of different reactivity: a quantum dynamical perspective

Natalia Gelfand, Ksenia Komarova, Francoise Remacle, Raphael D. Levine

Version 1 posted 27 January 2023

140

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Catalysis

Working Paper

Mechanistic Insights into Atom-Economical Bromoalkynylation of Ynamides: 1,3-Alkynyl Migration Explored through ¹³C Kinetic Isotope Effects, XPS, and DFT Analysis

Tapas R. Pradhan, Gisela A. González-Montiel, Alina Dzhaparova, Eunseok Park, Paul Ha-Yeon Cheong, Jin Kyoon Park

Version 1 posted 30 October 2024

213

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Refine Search

10 results in isotope effect in Keywords: isotope effect

Theoretical Study of the Isotope Effect in Optical Rotation

H/D Isotope Effects on Redox-Switching of DNA Self-Assembled Monolayers Observed by EQCM and Cyclic Voltammetry

Effect of Metabolic Constraints on the Observable Isotope Fractionation Associated with Aerobic Biodegradation of Hexachlorocyclohexanes

Quantum-Induced Symmetry-Breaking in the Deuterated Dihydroanthracenyl Radical

Unimolecular, bimolecular and intramolecular hydrolysis mechanisms of 4-nitrophenyl β-D-glucopyranoside

Spectroscopic and Electrokinetic Evidence for a Bifunctional Mechanism of the Oxygen Evolution Reaction

The Density Matrix via Few Dominant Observables: The Quantum Interference in the Isotope Effect for Atto-Pumped N2

Electronic coherences steer the strong isotope effect in the ultrafast Jahn-Teller structural rearrangement of methane cation upon tunnel ionization

On the energy-specific photodissociation pathways of 14N2 and 14N15N isotopomers to N atoms of different reactivity: a quantum dynamical perspective

Mechanistic Insights into Atom-Economical Bromoalkynylation of Ynamides: 1,3-Alkynyl Migration Explored through ¹³C Kinetic Isotope Effects, XPS, and DFT Analysis

10 results in Keywords: isotope effect