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Henry S. Rzepa
Henry S. Rzepa
Emeritus Professor of Computational Chemistry, Imperial College London
在 imperial.ac.uk 的电子邮件经过验证 - 首页
标题
引用次数
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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
4922006
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
3761997
Möbius aromaticity and delocalization
HS Rzepa
Chemical reviews 105 (10), 3697-3715, 2005
3462005
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
3032017
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
2991999
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
2652006
A tricyclic aromatic isomer of hexasilabenzene
K Abersfelder, AJP White, HS Rzepa, D Scheschkewitz
science 327 (5965), 564-566, 2010
2522010
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
2432012
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
2282005
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
2221978
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
2172016
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
1822014
Crocker, not Armit and Robinson, begat the six aromatic electrons
AT Balaban, PR Schleyer, HS Rzepa
Chemical Reviews 105 (10), 3436-3447, 2005
1742005
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
1562003
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
1551978
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
1551978
A stable derivative of the global minimum on the Si6H6 potential energy surface
K Abersfelder, AJP White, RJF Berger, HS Rzepa, D Scheschkewitz
Angewandte Chemie International Edition 50 (34), 7936-7939, 2011
1522011
Design, synthesis, and evaluation of a helicenoidal DMAP Lewis base catalyst
MR Crittall, HS Rzepa, DR Carbery
Organic Letters 13 (5), 1250-1253, 2011
1522011
One molecule, two atoms, three views, four bonds?
S Shaik, HS Rzepa, R Hoffmann
Angewandte Chemie International Edition 52 (10), 2013
1512013
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