Henry S. Rzepa

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Ana M. LoboProfessor of Organic Chemistry, FCT-UNLVerified email at fct.unl.pt
Egon WillighagenAssistant Professor at BiGCaT, Maastricht University The Netherlands, ORCID:0000-0001-7542-0286Verified email at maastrichtuniversity.nl
Benjamin J WhitakerProfessor of Chemical Physics, University of LeedsVerified email at leeds.ac.uk
David O'HaganUniversity of St AndrewsVerified email at st-andrews.ac.uk
Sason ShaikProfessor of Chemistry, Institute of Chemistry, The Hebrew University of JerusalemVerified email at yfaat.ch.huji.ac.il
Alexandra SlawinProfessor of Chemistry,University of St AndrewsVerified email at st-and.ac.uk
Michael McKeeAuburn UniversityVerified email at auburn.edu
Christoph SteinbeckFriedrich-Schiller-University JenaVerified email at uni-jena.de
Julia Contreras-GarcíaCNRS & Sorbonne UniversitéVerified email at lct.jussieu.fr
D. Christopher BraddockImperial College LondonVerified email at imperial.ac.uk
Dr Antoine BuchardWhorrod Research Fellow, University of BathVerified email at bath.ac.uk
David DanovichInstitute of Chemistry, The Hebrew UniversityVerified email at mail.huji.ac.il
Dr Paul DingwallLecturer in Physical Organic Chemistry, Queen's University BelfastVerified email at qub.ac.uk
King Kuok (Mimi) HiiProfessor of Catalysis, Imperial College LondonVerified email at imperial.ac.uk
Geoffrey HutchisonAssociate Professor of Chemistry, University of PittsburghVerified email at pitt.edu
Michael ShaverUniversity of ManchesterVerified email at manchester.ac.uk
Victor W PikeChief of PET Radiopharmaceutical SciencesVerified email at mail.nih.gov
Jim DowningCEO, MetailVerified email at pobox.com
Rajarshi GuhaVertex PharmaceuticalsVerified email at vrtx.com
Fanny CherblancInstitut PasteurVerified email at pasteur.fr

Henry S. Rzepa

Emeritus Professor of Computational Chemistry, Imperial College London

Verified email at imperial.ac.uk - Homepage

Chemistry


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The Blue Obelisk—interoperability in chemical informatics R Guha, MT Howard, GR Hutchison, P Murray-Rust, H Rzepa, ... Journal of chemical information and modeling 46 (3), 991-998, 2006	484	2006
MNDO parameters for third period elements MJS Dewar, ML McKee, HS Rzepa Journal of the American Chemical Society 100 (11), 3607-3607, 1978	450	1978
Some influences of fluorine in bioorganic chemistry D O’Hagan, HS Rzepa Chemical Communications, 645-652, 1997	348	1997
Möbius aromaticity and delocalization HS Rzepa Chemical reviews 105 (10), 3697-3715, 2005	303	2005
Chemical markup, XML, and the Worldwide Web. 1. Basic principles P Murray-Rust, HS Rzepa Journal of Chemical Information and Computer Sciences 39 (6), 928-942, 1999	284	1999
Synthetic, Structural, Mechanistic, and Computational Studies on Single-Site β-Diketiminate Tin (II) Initiators for the Polymerization of r ac-Lactide AP Dove, VC Gibson, EL Marshall, HS Rzepa, AJP White, DJ Williams Journal of the American Chemical Society 128 (30), 9834-9843, 2006	248	2006
Ground states of molecules. 40. MNDO results for molecules containing fluorine MJS Dewar, HS Rzepa Journal of the American Chemical Society 100 (1), 58-67, 1978	226	1978
A tricyclic aromatic isomer of hexasilabenzene K Abersfelder, AJP White, HS Rzepa, D Scheschkewitz science 327 (5965), 564-566, 2010	218	2010
A Computational Analysis of the Ring-Opening Polymerization of r ac-Lactide Initiated by Single-Site β-Diketiminate Metal Complexes: Defining the Mechanistic Pathway and the … EL Marshall, VC Gibson, HS Rzepa Journal of the American Chemical Society 127 (16), 6048-6051, 2005	207	2005
Quadruple bonding in C2 and analogous eight-valence electron species S Shaik, D Danovich, W Wu, P Su, HS Rzepa, PC Hiberty Nature chemistry 4 (3), 195-200, 2012	205	2012
Tuning azoheteroarene photoswitch performance through heteroaryl design J Calbo, CE Weston, AJP White, HS Rzepa, J Contreras-García, ... Journal of the American Chemical Society 139 (3), 1261-1274, 2017	180	2017
Chemoselective polymerizations from mixtures of epoxide, lactone, anhydride, and carbon dioxide C Romain, Y Zhu, P Dingwall, S Paul, HS Rzepa, A Buchard, CK Williams Journal of the American Chemical Society 138 (12), 4120-4131, 2016	161	2016
Ground states of molecules. 49. MINDO/3 study of the retro-Diels-Alder reaction of cyclohexene MJS Dewar, S Olivella, HS Rzepa Journal of the American Chemical Society 100 (18), 5650-5659, 1978	159	1978
The Houk–List transition states for organocatalytic mechanisms revisited A Armstrong, RA Boto, P Dingwall, J Contreras-Garcia, MJ Harvey, ... Chemical Science 5 (5), 2057-2071, 2014	157	2014
Crocker, not Armit and Robinson, begat the six aromatic electrons AT Balaban, PR Schleyer, HS Rzepa Chemical Reviews 105 (10), 3436-3447, 2005	153	2005
Chemical markup, XML, and the World Wide Web. 4. CML schema P Murray-Rust, HS Rzepa Journal of chemical information and computer sciences 43 (3), 757-772, 2003	147	2003
Calculations of electron affinities using the MNDO semiempirical SCF-MO method MJS Dewar, HS Rzepa Journal of the American Chemical Society 100 (3), 784-790, 1978	147	1978
Ground states of molecules. 45. MNDO results for molecules containing beryllium MJS Dewar, HS Rzepa Journal of the American Chemical Society 100 (3), 777-784, 1978	145	1978
Design, synthesis, and evaluation of a helicenoidal DMAP Lewis base catalyst MR Crittall, HS Rzepa, DR Carbery Organic Letters 13 (5), 1250-1253, 2011	142	2011
An X-ray crystallographic, mass spectroscopic, and NMR study of the limonoid insect antifeedant azadirachtin and related derivatives JN Bilton, HB Broughton, PS Jones, SV Ley, HS Rzepa, RN Sheppard, ... Tetrahedron 43 (12), 2805-2815, 1987	135	1987

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