Computational Analysis of a Prebiotic Amino Acid Synthesis with Reference to Extant Codon–Amino Acid Relationships

por Yaman, Tolga, Harvey, Jeremy N.
Publicado 2021

Iron-Catalyzed Reductive Coupling of Alkyl Iodides with Alkynes To Yield cis-Olefins: Mechanistic Insights from Computation

por Darù, Andrea, Hu, Xile, Harvey, Jeremy N.
Publicado 2020

Accuracy in determining interproton distances using Nuclear Overhauser Effect data from a flexible molecule

por Jones, Catharine R, Butts, Craig P, Harvey, Jeremy N
Publicado 2011

Does Compound I Vary Significantly between Isoforms of Cytochrome P450?

por Lonsdale, Richard, Oláh, Julianna, Mulholland, Adrian J., Harvey, Jeremy N.
Publicado 2011

Microscopic Reactivity of Phenylferrate Ions toward Organyl Halides

por Lülf, Stefan, Guo, Luxuan, Parchomyk, Tobias, Harvey, Jeremy N., Koszinowski, Konrad
Publicado 2022

Reaction and relaxation at surface hotspots: using molecular dynamics and the energy-grained master equation to describe diamond etching

por Glowacki, David R., Rodgers, W. J., Shannon, Robin, Robertson, Struan H., Harvey, Jeremy N.
Publicado 2017

Dioxygen insertion into the gold(i)–hydride bond: spin orbit coupling effects in the spotlight for oxidative addition

por Gaggioli, Carlo Alberto, Belpassi, Leonardo, Tarantelli, Francesco, Zuccaccia, Daniele, Harvey, Jeremy N., Belanzoni, Paola
Publicado 2016

The Mechanism of Biochemical NO‐Sensing: Insights from Computational Chemistry

por Rozza, Ahmed M., Papp, Marcell, McFarlane, Neil R., Harvey, Jeremy N., Oláh, Julianna
Publicado 2022

The reaction of methyl peroxy and hydroxyl radicals as a major source of atmospheric methanol

por Müller, Jean-François, Liu, Zhen, Nguyen, Vinh Son, Stavrakou, Trissevgeni, Harvey, Jeremy N., Peeters, Jozef
Publicado 2016

Development of Enantiospecific Coupling of Secondary and Tertiary Boronic Esters with Aromatic Compounds

por Odachowski, Marcin, Bonet, Amadeu, Essafi, Stephanie, Conti-Ramsden, Philip, Harvey, Jeremy N., Leonori, Daniele, Aggarwal, Varinder K.
Publicado 2016

Oxidative Addition of Aryl Halides to a Triphosphine Ni(0) Center to Form Pentacoordinate Ni(II) Aryl Species

por Pérez−García, Pablo M., Darù, Andrea, Scheerder, Arthur R., Lutz, Martin, Harvey, Jeremy N., Moret, Marc-Etienne
Publicado 2020

Quantum Mechanics/Molecular Mechanics Modeling of Regioselectivity of Drug Metabolism in Cytochrome P450 2C9

por Lonsdale, Richard, Houghton, Kerensa T., Żurek, Jolanta, Bathelt, Christine M., Foloppe, Nicolas, de Groot, Marcel J., Harvey, Jeremy N., Mulholland, Adrian J.
Publicado 2013

Halogenated building blocks for 2D crystal engineering on solid surfaces: lessons from hydrogen bonding

por Mukherjee, Arijit, Sanz-Matias, Ana, Velpula, Gangamallaiah, Waghray, Deepali, Ivasenko, Oleksandr, Bilbao, Nerea, Harvey, Jeremy N., Mali, Kunal S., De Feyter, Steven
Publicado 2019

Ruthenium-catalyzed cascade C–H activation/annulation of N-alkoxybenzamides: reaction development and mechanistic insight

por Song, Liangliang, Zhang, Xiaoyong, Tang, Xiao, Van Meervelt, Luc, Van der Eycken, Johan, Harvey, Jeremy N., Van der Eycken, Erik V.
Publicado 2020

Molecular structure of soluble vimentin tetramers

por Vermeire, Pieter-Jan, Lilina, Anastasia V., Hashim, Hani M., Dlabolová, Lada, Fiala, Jan, Beelen, Steven, Kukačka, Zdeněk, Harvey, Jeremy N., Novák, Petr, Strelkov, Sergei V.
Publicado 2023

High Precision Assembly Line Synthesis for Molecules with Tailored Shapes

por Burns, Matthew, Essafi, Stephanie, Bame, Jessica R., Bull, Stephanie P., Webster, Matthew P., Balieu, Sebastien, Dale, James W., Butts, Craig P., Harvey, Jeremy N., Aggarwal, Varinder K.
Publicado 2014

Expansion of the Ligand Knowledge Base for Chelating P,P-Donor Ligands (LKB-PP)†

por Jover, Jesús, Fey, Natalie, Harvey, Jeremy N., Lloyd-Jones, Guy C., Orpen, A. Guy, Owen-Smith, Gareth J. J., Murray, Paul, Hose, David R. J., Osborne, Robert, Purdie, Mark
Publicado 2012