Henry S. Rzepa
Henry S. Rzepa
Emeritus Professor of Computational Chemistry, Imperial College London
Verifierad e-postadress på imperial.ac.uk - Startsida
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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
4772006
MNDO parameters for third period elements
MJS Dewar, ML McKee, HS Rzepa
Journal of the American Chemical Society 100 (11), 3607-3607, 1978
4521978
Ground states of molecules. 41. MNDO results for molecules containing boron
MJS Dewar, ML McKee
Journal of the American Chemical Society 99 (16), 5231-5241, 1977
398*1977
Some influences of fluorine in bioorganic chemistry
D O’Hagan, HS Rzepa
Chemical Communications, 645-652, 1997
3301997
Möbius aromaticity and delocalization
HS Rzepa
Chemical reviews 105 (10), 3697-3715, 2005
2772005
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
2741999
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
2362006
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
2261978
A tricyclic aromatic isomer of hexasilabenzene
K Abersfelder, AJP White, HS Rzepa, D Scheschkewitz
science 327 (5965), 564-566, 2010
1992010
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
1992005
Quadruple bonding in C 2 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
1882012
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
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
1522003
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
1501978
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
1442014
Crocker, not Armit and Robinson, begat the six aromatic electrons
AT Balaban, PR Schleyer, HS Rzepa
Chemical Reviews 105 (10), 3436-3447, 2005
1442005
Design, synthesis, and evaluation of a helicenoidal DMAP Lewis base catalyst
MR Crittall, HS Rzepa, DR Carbery
Organic letters 13 (5), 1250-1253, 2011
1362011
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
1321987
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
1262016
MNDO calculations for compounds containing aluminum and boron
LP Davis, RM Guidry, JR Williams, MJS Dewar, HS Rzepa
Journal of Computational Chemistry 2 (4), 433-445, 1981
1261981
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Artiklar 1–20