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Physical Chemistry Chemical Physics : PCCP|July 9, 2020
The role of hydrogen bond donor and water content on the electrochemical reduction of Ni2+ from solvents - an experimental and modelling studyMonika Lukaczynska-Anderson, Mesfin Haile Mamme, Andrea Ceglia, et al.
The Journal of Chemical Physics|October 17, 2009
Benchmarking density-functional-theory calculations of rotational g tensors and magnetizabilities using accurate coupled-cluster calculationsOla B Lutnaes, Andrew M Teale, Trygve Helgaker, et al.
Physical Chemistry Chemical Physics : PCCP|May 29, 2009
TDDFT diagnostic testing and functional assessment for triazene chromophoresMichael J G Peach, C Ruth Le Sueur, Kenneth Ruud, et al.
The Journal of Organic Chemistry|October 4, 2011
Reactivity of activated versus nonactivated 2-(bromomethyl)aziridines with respect to sodium methoxide: a combined computational and experimental studyHannelore Goossens, Karel Vervisch, Saron Catak, et al.
Chemical Science|February 6, 2023
Photoactivation of titanium-oxo cluster [Ti6O6(OR)6(O2C Bu)6]: mechanism, photoactivated structures, and onward reactivity with O2 to a peroxide complexStephen E Brown, Ioanna Mantaloufa, Ryan T Andrews, et al.
Gels (Basel, Switzerland)|December 22, 2022
Does Supramolecular Gelation Require an External Trigger?Ruben Van Lommel, Julie Van Hooste, Johannes Vandaele, et al.
Chemical Communications (Cambridge, England)|October 10, 2006
The intramolecular beta-fluorine...ammonium interaction in 4- and 8-membered ringsNatalie E J Gooseman, David O'Hagan, Alexandra M Z Slawin, et al.
Physical Chemistry Chemical Physics : PCCP|May 12, 2007
Combining insights from solid-state NMR and first principles calculation: applications to the 19F NMR of octafluoronaphthaleneAndrew J Robbins, William T K Ng, Dominik Jochym, et al.
Physical Chemistry Chemical Physics : PCCP|February 17, 2006
Assessment of a Coulomb-attenuated exchange-correlation energy functionalMichael J G Peach, Trygve Helgaker, Paweł Sałek, et al.
Chemical Communications (Cambridge, England)|July 30, 2016
The active site architecture in peroxiredoxins: a case study on Mycobacterium tuberculosis AhpEBrandán Pedre, Laura A H van Bergen, Anna Palló, et al.
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