نتایج جستجو برای: reaction dynamics

تعداد نتایج: 840220  

Journal: :Nature chemistry 2013
Millard H Alexander

253 news & views reactions. Furthermore, it was found that AB-functionalized building blocks were prone to intramolecular cyclization on the DNA template, whereas much better intermolecular coupling efficiences were achieved by using mixtures of AA-and BB-modified building blocks. A range of coupling chemistries were explored, including amine acylation, reductive amination, hydrazine formation ...

1998
Xiaodi Sun

Metastable dynamics, which qualitatively refers to physical processes that involve an extremely slow approach to their nal equilibrium states, is often associated with singularly perturbed convection-di usion-reaction equations. A problem exhibits metastable behavior when the approach to equilibrium occurs on a time-scale of order O(eC" ), where C > 0 and " is the singular perturbation paramete...

Journal: :The journal of physical chemistry letters 2011
Andrew J Orr-Ewing David R Glowacki Stuart J Greaves Rebecca A Rose

The dynamics of bimolecular chemical reactions can be examined in liquid solutions using infrared absorption spectroscopy with picosecond time resolution. On such short time scales, the transient absorption spectra reveal vibrational mode and quantum-state-specific energy disposal, followed by vibrational relaxation as the energy is dissipated to the surrounding solvent. Comparison with energy ...

Journal: :Chemphyschem : a European journal of chemical physics and physical chemistry 2012
Markus Meuwly

Calculating the rate at which a chemical reaction occurs from first principles is a formidable task. Formulated in the most general sense, the problem encompasses 1) the characterization of how the constituent atoms interact with each other, 2) solving the dynamical problem of how the reactants move from educt to product, and 3) finally determining the rate from integrating over the initial sta...

Journal: :Physical review. E, Statistical, nonlinear, and soft matter physics 2008
T A M Langlands B I Henry S L Wearne

We have introduced a set of coupled fractional reaction-diffusion equations to model a multispecies system undergoing anomalous subdiffusion with linear reaction dynamics. The model equations are derived from a mesoscopic continuous time random walk formulation of anomalously diffusing species with linear mean field reaction kinetics. The effect of reactions is manifest in reaction modified spa...

2003
Yue Li James M. Farrar

The proton transfer reaction of H3O 1 and NH3 was studied using the crossed molecular beam technique at relative energies of 0.41, 0.81, and 1.27 eV. At all three energies, the center-of-mass flux distribution of the product ion NH4 1 exhibits sharply asymmetry, and the maximum is close to the velocity and direction of the precursor ammonia beam. The reaction transforms almost all of the 1.69 e...

2009
Sulolit Pradhan Lauren E. Brown Shaowei Chen

Janus nanoparticles were prepared by taking advantage of interfacial ligand exchange reactions of hydrophobic hexanethiolate-protected gold nanoparticles with hydrophilic 2-(2-mercaptoethoxy)ethanol (MEA). A monolayer of the particles was first formed at the air–water interface by the Langmuir technique and then deposited onto a substrate surface by the Langmuir–Blodgett method. The particle mo...

Journal: :The Journal of chemical physics 2004
Kay Tucci Raymond Kapral

A hybrid mesoscopic multiparticle collision model is used to study diffusion-influenced reaction kinetics. The mesoscopic particle dynamics conserves mass, momentum, and energy so that hydrodynamic effects are fully taken into account. Reactive and nonreactive interactions with catalytic solute particles are described by full molecular dynamics. Results are presented for large-scale, three-dime...

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