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Nature Chemistry, ISSN 1755-4330, 10/2012, Volume 4, Issue 10, pp. 794 - 801
The success of solar fuel technology relies on the development of efficient catalysts that can oxidize or reduce water. All molecular water-oxidation catalysts... 
EVOLUTION | MECHANISM | MODELS | DIMER | O-2 | COMPLEXES | LIGHT | PLANET | O BOND FORMATION | IDENTIFICATION | CHEMISTRY, MULTIDISCIPLINARY | Electrodes | Electrochemical Techniques | Oxidation-Reduction | Oxygen - chemistry | Water - chemistry | Flavins - chemistry | Catalysis | Platinum - chemistry | Carbon - chemistry
Journal Article
Inorganic chemistry, ISSN 0020-1669, 07/2019, Volume 58, Issue 13, pp. 8892 - 8892
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 08/2009, Volume 48, Issue 16, pp. 7818 - 7827
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 08/2009, Volume 48, Issue 16, pp. 7818 - 7827
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 05/2008, Volume 47, Issue 10, pp. 4375 - 4382
We propose a mechanism for the cage-opening reaction of a four atoms shared closo/closo B20H16 (1) with MeCN to a face shared closo/nido macropolyhedron... 
POLYHEDRAL BORANES | CONTAINING CLUSTER CHEMISTRY | ELECTRONIC REQUIREMENTS | CARBORANE | CRYSTAL-STRUCTURE | BORON HYDRIDE | AB-INITIO | MECHANISMS | MACROPOLYHEDRAL BORANES | REARRANGEMENTS | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 07/2008, Volume 47, Issue 30, pp. 5561 - 5564
Journal Article
Chemistry - An Asian Journal, ISSN 1861-4728, 08/2009, Volume 4, Issue 8, pp. 1346 - 1353
Journal Article
Chemistry – An Asian Journal, ISSN 1861-4728, 08/2009, Volume 4, Issue 8, pp. 1346 - 1353
The concept of orbital compatibility is used to explain the relative energies of different macropolyhedral structural patterns such as closo‐closo, closo‐nido,... 
boranes | macropolyhedra | density functional calculations | orbital compatibility | Boranes | Density functional calculations | Macropoly-hedra | Orbital compatibility | POLYHEDRAL BORANES | ELECTRONIC REQUIREMENTS | APPROXIMATION | CRYSTAL-STRUCTURE | BORON HYDRIDE | CORRELATION-ENERGY | VALENCE STRUCTURES | CARBORANES | CHEMISTRY, MULTIDISCIPLINARY | DENSITY | B18H22
Journal Article
The Journal of Organic Chemistry, ISSN 0022-3263, 06/2014, Volume 79, Issue 11, pp. 4832 - 4842
The power of hydrogen-bond donor catalysis has been harnessed to elicit and control carbene-like reactivity from nitrodiazoesters. Specifically, select ureas... 
ALKENES | ACTIVATION | 3-COMPONENT REACTION | CYCLOPROPANATION | CHEMISTRY, ORGANIC | RECEPTORS | TRANSIENT | NITROALKENES | INDOLES
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 05/2008, Volume 47, Issue 10, pp. 4375 - 4382
We propose a mechanism for the cage-opening reaction of a four atoms shared closo/closo B sub(20)H sub(16) (1) with MeCN to a face shared closo/nido... 
Computation | Diamonds | Ligands | Formations | Conversion | Isomers
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 05/2008, Volume 47, Issue 10, pp. 4375 - 4382
Journal Article
ACS Catalysis, ISSN 2155-5435, 08/2014, Volume 4, Issue 8, pp. 2635 - 2644
Electrochemical behavior of flavinium (Et-Fl+) and acridinium (Acr+) cations is presented, in order to investigate their activity toward catalytic water... 
pseudobase | electrocatalytic water oxidation | electron transfer | electrode-assisted | iminium ions | MOLECULAR CATALYSTS | AMMONIUM-NITRATE | HYDROGEN-ATOM TRANSFER | RADICAL CATIONS | CHEMISTRY, PHYSICAL | O BOND FORMATION | ASTERISK IRIDIUM COMPLEXES | PHOTOSYSTEM-II | OXYGEN-EVOLVING CATALYST | RUTHENIUM DIMER
Journal Article
Angewandte Chemie, ISSN 0044-8249, 07/2008, Volume 120, Issue 30, pp. 5643 - 5646
Klein und groß passt bei der Kondensation polyedrischer Borane wegen der größeren Orbitalähnlichkeit besser als klein und klein oder groß und groß (siehe... 
Orbitalähnlichkeiten | Borane | Clusterverbindungen | Dichtefunktionalrechnungen
Journal Article
Proceedings of the Practice and Experience on advanced research computing, 07/2018, pp. 1 - 8
Open OnDemand supports Interactive HPC web applications enabling the interactive and distributed environments for Jupyter and RStudio running on an HPC... 
RStudio | High Performance Computing | Open OnDemand | Interactive | Jupyter | Spark | Web platform | OSC
Conference Proceeding
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