Valerie Vaissier Welborn
Title
Cited by
Cited by
Year
Influence of polar medium on the reorganization energy of charge transfer between dyes in a dye sensitized film
V Vaissier, P Barnes, J Kirkpatrick, J Nelson
Physical Chemistry Chemical Physics 15 (13), 4804-4814, 2013
922013
Computational optimization of electric fields for better catalysis design
VV Welborn, LR Pestana, T Head-Gordon
Nature Catalysis 1 (9), 649-655, 2018
622018
The reorganization energy of intermolecular hole hopping between dyes anchored to surfaces
D Moia, V Vaissier, I López-Duarte, T Torres, MK Nazeeruddin, ...
Chemical Science 5 (1), 281-290, 2014
612014
Computational design of synthetic enzymes
V Vaissier Welborn, T Head-Gordon
Chemical reviews 119 (11), 6613-6630, 2018
582018
Interdye hole transport accelerates recombination in dye sensitized mesoporous films
D Moia, A Szumska, V Vaissier, M Planells, N Robertson, BC O’Regan, ...
Journal of the American Chemical Society 138 (40), 13197-13206, 2016
252016
Computational optimization of electric fields for improving catalysis of a designed kemp eliminase
V Vaissier, SC Sharma, K Schaettle, T Zhang, T Head-Gordon
ACS Catalysis 8 (1), 219-227, 2018
242018
Effect of molecular fluctuations on hole diffusion within dye monolayers
V Vaissier, E Mosconi, D Moia, M Pastore, JM Frost, F De Angelis, ...
Chemistry of Materials 26 (16), 4731-4740, 2014
232014
Influence of a nearby substrate on the reorganization energy of hole exchange between dye molecules
F Manke, JM Frost, V Vaissier, J Nelson, PRF Barnes
Physical Chemistry Chemical Physics 17 (11), 7345-7354, 2015
192015
Influence of Intermolecular Interactions on the Reorganization Energy of Charge Transfer between Surface-Attached Dye Molecules
V Vaissier, JM Frost, PRF Barnes, J Nelson
The Journal of Physical Chemistry C 119 (43), 24337-24341, 2015
162015
Electrostatics generated by a supramolecular capsule stabilizes the transition state for carbon–carbon reductive elimination from gold (iii) Complex
V Vaissier Welborn, T Head-Gordon
The journal of physical chemistry letters 9 (14), 3814-3818, 2018
152018
Interplay of water and a supramolecular capsule for catalysis of reductive elimination reaction from gold
VV Welborn, WL Li, T Head-Gordon
Nature communications 11 (1), 1-6, 2020
122020
Evidence for photo-induced charge separation between dye molecules adsorbed to aluminium oxide surfaces
UB Cappel, D Moia, A Bruno, V Vaissier, SA Haque, PRF Barnes
Scientific reports 6 (1), 1-9, 2016
122016
Fluctuations of Electric Fields in the Active Site of the Enzyme Ketosteroid Isomerase
V Vaissier Welborn, T Head-Gordon
J. Am. Chem. Soc. 141 (32), 12487-12492, 2019
92019
Adiabatic approximation in explicit solvent models of RedOx chemistry
V Vaissier, T Van Voorhis
Journal of chemical theory and computation 12 (10), 5111-5116, 2016
92016
Geometry of molecular motions in dye monolayers at various coverages
V Vaissier, T Van Voorhis
The Journal of Physical Chemistry C 121 (23), 12562-12568, 2017
52017
How mobile are dye adsorbates and acetonitrile molecules on the surface of TiO 2 nanoparticles? A quasi-elastic neutron scattering study
V Vaissier, VG Sakai, X Li, JT Cabral, J Nelson, PRF Barnes
Scientific reports 6 (1), 1-8, 2016
42016
Quantum chemical approaches to [NiFe] hydrogenase
V Vaissier, T Van Voorhis
Essays in biochemistry 61 (2), 293-303, 2017
32017
ELECTRIC: Electric fields Leveraged from multipole Expansion Calculations in Tinker Rapid Interface Code
J Nash, T Barnes, VV Welborn
Journal of Open Source Software 5 (54), 2576, 2020
12020
Non-radiative deactivation of cytosine derivatives at elevated temperature
VV Welborn, T Van Voorhis
Molecular Physics 116 (19-20), 2591-2598, 2018
12018
Publisher Correction: Computational optimization of electric fields for better catalysis design
VV Welborn, LR Pestana, T Head-Gordon
Nature Catalysis 1 (10), 805-805, 2018
12018
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