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2 research outputs found

The role of computational results databases in accelerating the discovery of catalysts

Author: AL Ferguson
B Wang
DP Tabor
E Rossi
G Jones
G Pizzi
J Rodríguez-Guerra Pedregal
JP Janet
JS Hummelshøj
JZA Laloo
K Lejaeghere
K Ohno
KT Butler
KT Schütt
LM Ghiringhelli
M Nakata
M Álvarez-Moreno
MM Ghahremanpour
NM O’Boyle
P Murray-Rust
R Gómez-Bombarelli
S Adams
Z Chen
Z Wu
Publication venue: 'Springer Science and Business Media LLC'
Publication date
Field of study

A molecular electron density theory study of the [3 + 2] cycloaddition reaction of 1,4-diphosphorinium-3-olates with methyl acrylate and methyl methacrylate

Author: A Kira
A Padwa
A Padwa
AD Becke
AD Becke
AE Reed
AE Reed
AF Jalbout
AP Scott
AR Reddy
B Silvi
B Silvi
B Tan
BY Simkin
C Lee
C Nájera
D Hallooman
D Hallooman
D Wang
E Goldstein
EF Pettersen
ER Johnson
F Tomita
GD Angew
H He
H Ni
HB Schlegel
I Arrastia
J Clayden
J Contreras-García
J Dietrich
J Tomasi
JA Sklorz
JZA Laloo
K Fukui
K Takahashi
L Rhyman
L Rhyman
L Rhyman
LR Domingo
LR Domingo
LR Domingo
LR Domingo
LR Domingo
LR Domingo
LR Domingo
LR Domingo
LR Domingo
LR Domingo
M Helliwell
M Helliwell
M Helliwell
M Kiss
M Papke
M Rigo
M Ríos-Gutiérrez
M Yamada
MJ Aurell
MJ Frisch
N Hirayama
N Shen
ND Yates
P Geerlings
P Hindenberg
P Jaramillo
PA Allway
R Dooley
R Huisgen
RFW Bader
RG Parr
RG Parr
RK Bansal
RP Tripathi
S Noury
S Pamidighantam
SM Rajesh
W Benchouk
W Carruthers
W Humphrey
W Kohn
WJ Hehre
Y Zhang
Z Joomun
Publication venue: 'Springer Science and Business Media LLC'
Publication date
Field of study

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