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ACS Catalysis, ISSN 2155-5435, 09/2017, Volume 7, Issue 9, pp. 5604 - 5611
We describe a general theory for surface-catalyzed bimolecular reactions in responsive nanoreactors, catalytically active nanoparticles coated by a... 
catalysis | smart polymers | bimolecular reactions | nanoreactors | permeability | diffusion-reaction theory | FERRICYANIDE | CHEMISTRY, PHYSICAL | DIFFUSION-CONTROLLED REACTIONS | NANOPARTICLES | REDUCTION | KINETICS | COMPLEXITY | THERMORESPONSIVE MICROGELS
Journal Article
by Liu, S and Xu, X and Zhang, DH
JOURNAL OF CHEMICAL PHYSICS, ISSN 0021-9606, 04/2012, Volume 136, Issue 14, p. 144302
Time-dependent wave packet method has been developed to calculate differential cross section for four-atom reactions in full dimension, utilizing an improved... 
QUANTUM-MECHANICAL CALCULATION | DIATOM-DIATOM REACTIONS | INSERTION REACTION | POTENTIAL-ENERGY SURFACES | RATE CONSTANTS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | H-2+OH REACTION | CHEMISTRY, PHYSICAL | CENTRIFUGAL SUDDEN APPROXIMATION | REACTION DYNAMICS | REACTION PROBABILITIES | BIMOLECULAR REACTION
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 10/2013, Volume 135, Issue 40, pp. 15251 - 15256
The ability to predict mode/bond selectivity and energy disposal is of central importance for controlling chemical reactions. We argue that the transition... 
CONTROLLING BIMOLECULAR REACTIONS | CHEMICAL-REACTIONS | DIMENSIONAL QUANTUM | HYDROGEN-ATOMS | VIBRATIONAL-STATE | BOND-SELECTED REACTION | METHANE DISSOCIATIVE CHEMISORPTION | REACTION-PATH | REACTION DYNAMICS | REACTIVE SCATTERING | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Chemical science, ISSN 2041-6520, 05/2019, Volume 10, Issue 19, pp. 5018 - 5024
Minisci alkylation is of prime importance for its applicability in functionalizing diverse heteroarenes, which are core structures in many bioactive compounds.... 
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 08/2016, Volume 120, Issue 33, pp. 8080 - 8089
An approximate but accurate theory is developed for the kinetics of reversible binding of a ligand to a macromolecule when either can stochastically fluctuate... 
ASSOCIATION-DISSOCIATION REACTION | MICHAELIS-MENTEN KINETICS | LIQUID SOLUTIONS | DEPENDENT RATE COEFFICIENTS | BIMOLECULAR REACTIONS | REACTION-RATES | INTEGRAL ENCOUNTER THEORY | MANY-PARTICLE TREATMENT | LONG-TIME ASYMPTOTICS | CHEMISTRY, PHYSICAL | MULTISTAGE REACTIONS | Chemical reactions | Research | Analysis | Macromolecules
Journal Article
Water Resources Research, ISSN 0043-1397, 09/2015, Volume 51, Issue 9, pp. 7798 - 7810
Numerical simulations of diffusion with bimolecular reaction demonstrate a transition in the spatially integrated reaction rate—increasing with time initially,... 
diffusion | reaction | bimolecular | transition | IN-SITU OXIDATION | WATER RESOURCES | MODEL | FRACTURE | ENVIRONMENTAL SCIENCES | POTASSIUM-PERMANGANATE | TRANSPORT | KINETICS | GROWTH | POROUS-MEDIA | LIMNOLOGY | Diffusion | Oxidation | Kinetics
Journal Article
Journal Article
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 04/2014, Volume 140, Issue 13, p. 134112
Journal Article
Chemical Society Reviews, ISSN 0306-0012, 12/2017, Volume 46, Issue 24, pp. 7597 - 7614
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 08/2014, Volume 141, Issue 7, p. 074310
By exciting the rotational modes of vibrationally excited CHD3(nu(1) = 1, JK), the reactivity for the Cl + CHD3 -> HCl + CD3 reaction is observed enhanced by... 
VIBRATIONAL EXCITATIONS | CHEMICAL-REACTIONS | BIMOLECULAR REACTIONS | POTENTIAL-ENERGY SURFACE | WAVE-PACKET PROPAGATION | REACTION CROSS-SECTIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | REACTION DYNAMICS | STRETCHING EXCITATION | CHLORINE ATOM | CL+CHD3(V=1) REACTION | Hydrogen bonds | Trajectories | Enlargement
Journal Article
1994, Wiley series in ion chemistry and physics, ISBN 0471938319, xvi, 503
Book
Science, ISSN 0036-8075, 3/1998, Volume 279, Issue 5358, pp. 1875 - 1879
Journal Article
by Wang, Y and Song, HW and Szabo, I and Czako, G and Guo, H and Yang, MH
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, ISSN 1948-7185, 09/2016, Volume 7, Issue 17, pp. 3322 - 3327
Journal Article
1994, Wiley series in ion chemistry and physics., ISBN 0471938319, xvi, 503
Book
FARADAY DISCUSSIONS, ISSN 1359-6640, 2012, Volume 157, pp. 59 - 88
Complex molecules often have many structures (conformations) of the reactants and the transition states, and these structures may be connected by coupled-mode... 
DENSITY FUNCTIONALS | VIBRATIONAL FREQUENCIES | BIMOLECULAR REACTIONS | ENZYME-KINETICS | CHEMISTRY, PHYSICAL | TUNNELING CALCULATIONS | NONCOVALENT INTERACTIONS | GAS-PHASE REACTIONS | MAIN-GROUP THERMOCHEMISTRY | ELECTRONIC-STRUCTURE | COLLINEAR REACTIONS
Journal Article
NATURE CHEMISTRY, ISSN 1755-4330, 02/2018, Volume 10, Issue 2, pp. 113 - 114
Using infrared light to control the outcome of a chemical reaction is problematic in solution because of numerous interactions and non-specific sample heating.... 
CHEMISTRY, MULTIDISCIPLINARY | BIMOLECULAR REACTIONS
Journal Article
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