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Over 3 years

(5)

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computational organic chemistry

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5 results in Keywords: computational organic chemistry

Organic Chemistry

Mapping C−H•••M interactions in confined spaces: (α-ICyDᴹᵉ)Au, Ag, Cu complexes reveal “contra-electrostatic H-bonds” masquerading as anagostic interactions

Gabriel dos Passos Gomes, Guangcan Xu, Xiaolei Zhu, Lise-Marie Chamoreau, Yongmin Zhang, Olivia Bistri Aslanoff, Sylvain Roland, Igor Alabugin, Matthieu Sollogoub

Version 2 posted 28 April 2020

1,437

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Theoretical and Computational Chemistry

Improving Phase-Transfer Catalysis by Enhancing Non-Covalent Interactions

Iñigo Iribarren, Cristina Trujillo

Version 1 posted 23 April 2020

601

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Stereospecific 1,3-H Transfer of Indenols Proceeds via Persistent Ion-Pairs Anchored By NH···Pi Interactions

David Ascough, Fernanda Duarte, Robert Paton

Version 1 posted 07 September 2018

668

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Organic Chemistry

Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis

Andrew Romine, Kin Yang, Malkanthi Karunananda, Jason Chen, Keary Engle

Version 1 posted 02 April 2019

1,646

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Organic Chemistry

Competition Between Cyclization and Unusual Norrish Type I and Type II Nitro-Acyl Migration Pathways in the Photouncaging of 1-Acyl-7-nitroindoline Revealed by Computations

Pierpaolo Morgante, Charitha Guruge, Yannick P. Ouedraogo, Nasri Nesnas, Roberto Peverati

Version 3 posted 23 September 2020

968

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1

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