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CHEMICAL PHYSICS, ISSN 0301-0104, 06/2013, Volume 419, pp. 124 - 130
OH-breaking reactions in Na(H2O)(n) (n <= 8) clusters were investigated by DFT calculations. The reaction paths were determined by calculating the transition... 
H-loss | Na-water clusters | Reaction path | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | HYPERSPHERE SEARCH METHOD | PSEUDO-ATOM | Fragmentation | EXCITED-STATES | WATER CLUSTERS | HYDROGEN | GROUP 1 METAL | REACTION COORDINATE | Transition state | Electron-hydrogen bond | Hydrated electron | SODIUM-HYDROXIDE
Journal Article
Chemical Physics, ISSN 0301-0104, 06/2013, Volume 419, pp. 124 - 130
► Transition-state structures and reaction paths of title reactions were calculated. ► H-loss reactions occur by the capture of the electron by the H atoms. ►... 
H-loss | Na-water clusters | Reaction path | Transition state | Hydrated electron | Fragmentation | Electron–hydrogen bond | Electron-hydrogen bond
Journal Article
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, ISSN 0002-7863, 12/2004, Volume 126, Issue 51, pp. 16834 - 16840
Available data from various sources seem to indicate an important role of solvation in the cleavage rates of intermediate pi ion radicals, in the passage from... 
ENERGY | DISSOCIATION | REDUCTIVE CLEAVAGE | DEHALOGENATION | KINETICS | C-C BONDS | DYNAMICS | ANION-RADICALS | S(RN)1 REACTIONS | CHEMISTRY, MULTIDISCIPLINARY | ALKYL-HALIDES
Journal Article
Journal of Physical Chemistry B, ISSN 1089-5647, 02/2003, Volume 107, Issue 8, pp. 1845 - 1852
Oxidation of organic substrates on metal oxide catalysts can be viewed as entailing a transfer of electrons from the organic moeity to the catalytic center,... 
SELECTIVE OXIDATION | DEHYDROGENATION | VANADIUM | MECHANISM | XANES | CHEMISTRY, PHYSICAL | RAMAN | SILICA | STRETCHING BANDS | METAL-OXIDES | Chemical bonds | Oxidation-reduction reaction | Oxides | Research | Chemical properties | Methanol
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 2001, Volume 123, Issue 21, pp. 4886 - 4895
The electrochemical (cyclic voltammetry) and photoinduced (fluorescence quenching, quantum yields) reductive cleavages of four compounds, 4-cyano-alpha... 
HALIDES | REDUCTIVE CLEAVAGE | NUCLEOPHILIC-SUBSTITUTION | REACTIVITY | DYNAMICS | ANION-RADICALS | BOND BREAKING | MECHANISMS | CHAIN PROCESS | LINEAR SWEEP VOLTAMMETRY | CHEMISTRY, MULTIDISCIPLINARY | Chemical reactions | Oxidation-reduction reaction | Research | Observations
Journal Article
Angewandte Chemie - International Edition, ISSN 1433-7851, 02/2012, Volume 51, Issue 6, pp. 1469 - 1472
Journal Article
European Journal of Organic Chemistry, ISSN 1434-193X, 04/2019, Volume 2019, Issue 15, pp. 2621 - 2628
Journal Article
Journal of Physical Chemistry B, ISSN 1520-6106, 1999, Volume 103, Issue 17, pp. 3442 - 3448
The adiabatic free energy surface for the electrochemically induced dissociation of a methyl halide MeX (MeX + e(-) --> Me + X-) is computed from molecular... 
CHEMISTRY, PHYSICAL | Electrochemistry | Chemical bonds | Molecular dynamics | Research
Journal Article
Journal of Physical Chemistry A, ISSN 1089-5639, 08/2000, Volume 104, Issue 32, pp. 7492 - 7501
Bond cleavages triggered by electron transfer may follow a stepwise or a concerted mechanism. A proper description of the competition between the two reaction... 
ABINITIO | RADICAL-ION-PAIRS | ANION | REDUCTIVE CLEAVAGE | C-C BONDS | DYNAMICS | CHEMISTRY, PHYSICAL | MESOLYTIC CLEAVAGE | FRAGMENTATION | SOLVENT | ALKYL-HALIDES | Research | Electron transport | Dynamics | Scission (Chemistry) | Analysis
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 07/2016, Volume 55, Issue 29, pp. 8371 - 8374
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2009, Volume 11, Issue 44, pp. 10275 - 10280
Journal Article
Chemistry - A European Journal, ISSN 0947-6539, 01/2009, Volume 15, Issue 3, pp. 785 - 792
Journal Article
Angewandte Chemie, ISSN 0044-8249, 07/2016, Volume 128, Issue 29, p. 8511
  A ground-state boron atom inserts into the C=C bond of ethylene to spontaneously form the allene-like compound H2CBCH2 on annealing in solid neon. This... 
Boron | Annealing | U.V. radiation | Ethylene | Insertion | Ultraviolet radiation | Neon | Allene | Exothermic reactions | Cryogenics | Chemical bonds | Inserts | Excitation
Journal Article
Angewandte Chemie, ISSN 0044-8249, 07/2016, Volume 128, Issue 29, pp. 8511 - 8514
A ground‐state boron atom inserts into the C=C bond of ethylene to spontaneously form the allene‐like compound H 2 CBCH 2 on annealing in solid neon. This... 
IR-Spektroskopie | C=C-Bindungsaktivierung | Bor | Matrixisolierung | Ethylen | Thermodynamics | Annealing | Bonds | Ethylene | Boron | Neon | Spontaneous | Bonding strength | Chemical bonds | Bonding | Isomers
Journal Article
New Journal of Chemistry, ISSN 1144-0546, 2009, Volume 33, Issue 2, pp. 417 - 427
Herein we describe the results of a combined theoretical and spectroscopic investigation into the design of a simple molecular system intended to act as a... 
ELECTROCHEMISTRY | POLARIZABLE CONTINUUM MODEL | ELECTRON-TRANSFER | REDUCTION | THEORETICAL DETERMINATION | TRANSFER/BOND-BREAKING REACTIONS | POTENTIALS | STEPWISE | DENSITY-FUNCTIONAL THEORY | CHEMISTRY, MULTIDISCIPLINARY | PK(A)
Journal Article