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Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 08/2012, Volume 86, Issue 7
This work explores the use of joint density functional theory, an extension of density functional theory for the ab initio description of electronic systems in... 
OXIDATION | PSEUDOPOTENTIALS | PHYSICS, CONDENSED MATTER | AB-INITIO | REDOX REACTIONS | MOLECULAR-DYNAMICS SIMULATIONS | DOUBLE-LAYER | CATALYSTS | SURFACE-CHEMISTRY | WATER | Electrodes | Software packages | Condensed matter | Charge | Density functional theory | Capacitance | Computational efficiency | Standards | Physics - Materials Science
Journal Article
Materials Today, ISSN 1369-7021, 03/2016, Volume 19, Issue 2, pp. 109 - 123
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 06/2016, Volume 55, Issue 27, pp. 7676 - 7679
Catalysts that can be regulated in terms of activity and selectivity by external stimuli may allow the efficient multistep synthesis of complex molecules and... 
C−H arylation | radicals | dyes | photocatalysis | radical anions | CATALYSIS | ELECTRON-TRANSFER | ARYL DIAZONIUM SALTS | ARYLATION | FLUORESCENT-PROBES | DYNAMIC CONTROL | C-H arylation | CHEMISTRY, MULTIDISCIPLINARY | Laws, regulations and rules | Catalysis | Chemical properties | Light
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 08/2014, Volume 16, Issue 29, pp. 15068 - 15106
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 06/2018, Volume 39, Issue 15, pp. 881 - 888
Journal Article
New Journal of Chemistry, ISSN 1144-0546, 2018, Volume 42, Issue 22, pp. 18217 - 18224
Transition metal Fischer carbene complexes have ample applications in chemistry owing to their attractive redox properties which are highly sensitive to the... 
REDOX POTENTIALS | DFT | AMINOCARBENE COMPLEXES | TRANSITION-METAL | QUANTITATIVE ASSESSMENT | CHEMISTRY | REACTIVITY | PREDICTIONS | DENSITY-FUNCTIONAL THEORY | CHEMISTRY, MULTIDISCIPLINARY | TOOL
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 11/2018, Volume 140, Issue 45, pp. 15353 - 15365
The targeted choice of specific photocatalysts has been shown to play a critical role for the successful realization of challenging photoredox catalytic... 
VISIBLE-LIGHT | SHINING LIGHT | ELECTRON-TRANSFER | UP-CONVERSION | COMPLEXES | CHARGE-TRANSFER STATES | ARYL | ACTIVATED DELAYED FLUORESCENCE | CHEMISTRY, MULTIDISCIPLINARY | LATE-STAGE FUNCTIONALIZATION | CARBOXYLIC-ACIDS
Journal Article