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Journal of the American Chemical Society|July 27, 2023
Multi-Time-Scale Simulation of Complex Reactive Mixtures: How Do Polyoxometalates Form?Enric Petrus, Diego Garay-Ruiz, Markus Reiher, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|July 12, 2008
A combined experimental and theoretical study of the molecular inclusion of organometallic sandwich complexes in a cavitand receptorErik Zuidema, M Angeles Sarmentero, Carles Bo, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 30, 2005
Origin of stereoinduction by chiral aminophosphane phosphinite ligands in enantioselective catalysis: asymmetric hydroformylationJorge J Carbó, Agustí Lledós, Dieter Vogt, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|March 21, 2013
A DFT study on the mechanism of the cycloaddition reaction of CO2 to epoxides catalyzed by Zn(salphen) complexesFernando Castro-Gómez, Giovanni Salassa, Arjan W Kleij, et al.
ACS Catalysis|March 27, 2025
Microkinetic Assessment of Ligand-Exchanging Catalytic CyclesOrkhan Abdullayev, Diego Garay-Ruiz, Berta Bori-Bru, et al.
Journal of the American Chemical Society|December 3, 2010
On the origin of the cation templated self-assembly of uranyl-peroxide nanoclustersPere Miró, Simon Pierrefixe, Mickaël Gicquel, et al.
Journal of the American Chemical Society|March 14, 2007
Ester versus polyketone formation in the palladium-diphosphine catalyzed carbonylation of etheneErik Zuidema, Carles Bo, Piet W N M van Leeuwen
Journal of Chemical Theory and Computation|July 27, 2026
SURFXsim: Free-Energy Simulations of Spin-Forbidden Events with a Spin-Gap Collective VariableAjmal Rahman Mullukkandy, Bernd Ensing, Carles Bo, et al.
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