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Henry S. Rzepa
Henry S. Rzepa
Emeritus Professor of Computational Chemistry, Imperial College London
Dirección de correo verificada de imperial.ac.uk - Página principal
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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
4862006
MNDO parameters for third period elements
MJS Dewar, ML McKee, HS Rzepa
Journal of the American Chemical Society 100 (11), 3607-3607, 1978
4521978
Some influences of fluorine in bioorganic chemistry
D O’Hagan, HS Rzepa
Chemical Communications, 645-652, 1997
3531997
Möbius aromaticity and delocalization
HS Rzepa
Chemical reviews 105 (10), 3697-3715, 2005
3092005
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
2841999
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
2512006
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
2271978
A tricyclic aromatic isomer of hexasilabenzene
K Abersfelder, AJP White, HS Rzepa, D Scheschkewitz
science 327 (5965), 564-566, 2010
2252010
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
2132012
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
2092005
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
1982017
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
1732016
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
1612014
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
1591978
Crocker, not Armit and Robinson, begat the six aromatic electrons
AT Balaban, PR Schleyer, HS Rzepa
Chemical Reviews 105 (10), 3436-3447, 2005
1552005
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
1482003
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
1481978
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
1451978
Design, synthesis, and evaluation of a helicenoidal DMAP Lewis base catalyst
MR Crittall, HS Rzepa, DR Carbery
Organic Letters 13 (5), 1250-1253, 2011
1442011
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
1381987
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Artículos 1–20