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Energy and Environmental Science, ISSN 1754-5692, 07/2016, Volume 9, Issue 7, pp. 2433 - 2443
Water oxidation is pivotal in biological photosynthesis, where it is catalyzed by a protein-bound metal complex with a Mn4Ca-oxide core; related synthetic... 
CENTERED OXIDATION | MECHANISM | RAY-ABSORPTION-SPECTROSCOPY | ENERGY & FUELS | O BOND FORMATION | CHEMISTRY, MULTIDISCIPLINARY | OXYGEN EVOLUTION REACTION | ENGINEERING, CHEMICAL | ENVIRONMENTAL SCIENCES | PHOTOSYSTEM-II | PROTON-TRANSFER | EVOLVING COMPLEX | ELECTRONIC-STRUCTURE | CYCLE
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 06/2008, Volume 47, Issue 26, pp. 4844 - 4846
Journal Article
Composites Part B, ISSN 1359-8368, 04/2019, Volume 162, pp. 433 - 444
Efforts to tune the performance of organic/inorganic composites are hindered owing to a lack of knowledge related to the interfacial interaction mechanisms.... 
DYE | ENGINEERING, MULTIDISCIPLINARY | BEHAVIOR | MATERIALS SCIENCE, COMPOSITES | FORCE-FIELDS | SIMULATION | CLAY | CALCIUM-SILICATE-HYDRATE | INTERLAYER STRUCTURE | HYDROGEL | Hydroxides | Analysis | Bonds | Force and energy | Molecular dynamics | Mechanical properties | Models | Rankings | Polymers | Polyols | Hydrates
Journal Article
Chemical Society Reviews, ISSN 0306-0012, 3/2015, Volume 44, Issue 6, pp. 1331 - 1345
Recent efforts and progress in unraveling the fundamental mechanism of excitation energy migration dynamics in upconversion nanomaterials are covered in this... 
NANOPARTICLES | PHOTOLUMINESCENCE | LUMINESCENCE | NANOCRYSTALS | ENHANCEMENT | IONS | LANTHANIDE | YB3 | EMISSION | CHEMISTRY, MULTIDISCIPLINARY | Upconversion | Confinement | Dynamics | Migration | Nanomaterials | Covering | Nanostructure | Excitation
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 12/2012, Volume 116, Issue 51, pp. 14859 - 14868
Journal Article
RNA, ISSN 1355-8382, 05/2017, Volume 23, Issue 5, pp. 628 - 638
Interaction with divalent cations is of paramount importance for RNA structural stability and function. We report here a detailed molecular dynamics study of... 
Molecular dynamics | Magnesium ions | Hybridization | Flexible RNA | Ion competition | magnesium ions | RNA | BIOCHEMISTRY & MOLECULAR BIOLOGY | ion competition | flexible RNA | PARTICLE MESH EWALD | hybridization | molecular dynamics | NUCLEIC-ACIDS | AQUEOUS-SOLUTION | BIOMOLECULAR SIMULATIONS | MAGNESIUM-IONS | METAL-ION BINDING | FORCE-FIELD | NMR STRUCTURE | EXCHANGE
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 12/2018, Volume 122, Issue 51, pp. 9806 - 9812
Accurate predictions of the hydration free energy for anions typically has been more challenging than that for cations. Hydrogen bond donation to the anion in... 
TRANSITION | INTRAMOLECULAR INTERACTIONS | THERMODYNAMICS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | COORDINATION | MODEL | FREE-ENERGY | ION HYDRATION | SOLVATION | BINDING | WATER
Journal Article
Journal Article