13,999 Works

cyanoboronic new, reactant

Henry Rzepa
Gaussian Calculation

Figure 11. Polymerization pathways from mixtures of CHO, PA and CL

Henry Rzepa

PCL - CR436

Charles ROMAIN
Polycaprolactone obtained from mixture eCL/CHO

6-ring metallocene search queries

Henry Rzepa
Search queries for use with the CCDC Conquest program

No description

Matthew Harvey
Gaussian Calculation

No description

Matthew Harvey
Gaussian Calculation

No description

Matthew Harvey
Gaussian Calculation

hydronium hydroxide 6-311++G(d,p) C3 + 9H2O IRC recalc=all

Henry Rzepa
Gaussian Calculation

hydronium hydroxide 6-311++G(d,p) C3 + 9H2O IRC recalc=all

Henry Rzepa
Gaussian Calculation

HF autoionization Cs symmetry HF DCM

Henry Rzepa
Gaussian Calculation

Metal-ring complexes with one carbon substituent

Henry Rzepa
A search query for the CSD Conquest software for ring sizes 3-9 with a metal bound to the face.

trimethyl silyl enol + Me4N(+).F(-) 5-coordinate intermediate Berry pseudorotation TS

Henry Rzepa
Gaussian Calculation

trimethyl silyl enol + Me4N(+).F(-) TS IRC

Henry Rzepa
Gaussian Calculation

Kinetic isotope effects for the ionisation of 5- and 6-substituted 1,3-dimethyl indolinones.

Henry Rzepa
Kinetic isotope effects for the ionisation of 5- and 6-substituted 1,3-dimethyl indolinones computed for a 3H2O.NaOH model at the B3LYP+D3/Def2-TZVPD/SCRF=water level

Transition states for deprotonation of 6-nitro-1,3-dimethylindolin-2-one.

Henry Rzepa
KIE calculated using the B3LYP+D3/Def2-TZVPP/SCRF=water method

dataset 1

Matthew Harvey
a test commandline deposition

dataset 1

Matthew Harvey
a test commandline deposition

dataset 1

Matthew Harvey
a test commandline deposition

dataset 1

Matthew Harvey
a test commandline deposition

Chempound@Imperial-chemistry

Henry Rzepa

multiple file upload 1

Matthew Harvey
multiple file upload 1

Multiple file upload test 1

Matthew Harvey
multiple file upload test 1

embargoed 2

Matthew Harvey
embargo test

Jordi

Henry Rzepa
Portal project

Figure 4 and Figure S7: activation and initiation for e-CL ROP

Charles ROMAIN
Potential energy surface for activation and initiation in ε-CL ROP, CHO/CO2 ROCOP or CHO ROP.

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