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Intermolecular segregation of siloxane in P3HT: surface quantification andmolecular surface-structure
POLYMER
Digital simulation with the fast implicit finite difference (FIFD) algorithm - Part 5: Digital simulations of square wave voltammetry for any user defined electrochemical mechanism comprising first- and second-order chemicalreactions
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
Consequences of a potential-dependent transfer coefficient in ac voltammetry and in coupled electron-proton transfer for attached redox couples
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
Probability-weighted dynamic Monte Carlo method for reaction kinetics simulations
JOURNAL OF PHYSICAL CHEMISTRY B
The role of collective solvent coordinates and nonequilibrium solvation incharge-transfer reactions
JOURNAL OF PHYSICAL CHEMISTRY B
Use of a dynamic Monte Carlo simulation in the study of nucleation-and-growth models for CO electrochemical oxidation
JOURNAL OF PHYSICAL CHEMISTRY B
Two-event echos in single-molecule kinetics: A signature of conformationalfluctuations
JOURNAL OF PHYSICAL CHEMISTRY B
Some new classical and semiclassical models for describing tunneling processes with real-valued classical trajectories
JOURNAL OF PHYSICAL CHEMISTRY B
Ab initio evaluation of the free energy surfaces for the general base/acidcatalyzed thiolysis of formamide and the hydrolysis of methyl thiolformate: A reference solution reaction for studies of cysteine proteases
JOURNAL OF PHYSICAL CHEMISTRY B
Pressure tuning of reaction equilibrium of esterification of acetic acid with ethanol in compressed CO2
JOURNAL OF PHYSICAL CHEMISTRY B
Static and dynamic solvation at the air/water interface
JOURNAL OF PHYSICAL CHEMISTRY B
Quantum mechanical/molecular mechanical study on the Favorskii rearrangement in aqueous media
JOURNAL OF PHYSICAL CHEMISTRY B
Application of a new kinetic method in the investigation of cleavage reactions of haloaromatic radical anions
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
Theoretical study of cyclopropenones and cyclopropenethiones: decomposition via intermediates
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
Theoretical study of the ring opening of phosphirane and silirane: contrasting mechanisms of hydrogen migration
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
Chemistry with stretched molecules
PHYSICS AND CHEMISTRY OF THE EARTH PART C-SOLAR-TERRESTIAL AND PLANETARY SCIENCE
Microscopic description of vibrational energy relaxation in supercritical fluids: On the dominance of binary solute-solvent contributions
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
The mechanism of the reaction FH+H2C=CH2 -> H3C-CFH2. Investigation of hidden intermediates with the unified reaction valley approach
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Nearside farside analysis of differential cross sections: The reaction I+HI -> IH+I
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Ab-initio molecular dynamics study of the S(N)2 reaction Cl-+ClCH2CN
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Classical diffusion model of vibrational predissociation of van der Waals complexes - Part II. Comparison with trajectory calculations and analyticalapproximations
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Collision-induced fragmentation and neutralization of methanol cluster cations
EUROPEAN PHYSICAL JOURNAL D
Non-iterative optimal design of quantum controls
EUROPEAN PHYSICAL JOURNAL D
Isotopic effects on the control of molecular handedness of H2POSH by ultrashort laser pulses
EUROPEAN PHYSICAL JOURNAL D
Radial mixing in protoplanetary accretion disks - I. Stationary disc models with annealing and carbon combustion
ASTRONOMY & ASTROPHYSICS
Evolution in silico and in vitro: The RNA model
BIOLOGICAL CHEMISTRY
Study of the adsorptive behavior of water-soluble dye molecules (rhodamine6G) at the air-water interface using confocal fluorescence microscope
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
Liquid-phase mass transfer of magnetic ion exchangers in magnetically influenced fluidized beds - I. DC fields
REACTIVE & FUNCTIONAL POLYMERS
General discussion
FARADAY DISCUSSIONS
Excited state reactions of metals in clusters: Pluridimensional harpoon and solvation effects
FARADAY DISCUSSIONS
The influence of simplified peroxy radical chemistry on the interpretationof NO2-NO-O-3 surface exchange
ATMOSPHERIC ENVIRONMENT
Dynamic behavior during the oxidation of phenol with bromate in a closed reactor
NEW JOURNAL OF CHEMISTRY
A combined crossed molecular beam and ab initio study of the reactions C-2(X-1 Sigma(+)(g), a(3)Pi(u))+C2H4 -> n-C4H3(X(2)A ')+H(S-2(1/2))
JOURNAL OF PHYSICAL CHEMISTRY A
Femtosecond UV pump/near-IR probe studies of the solvent-dependent excited-state decay dynamics of chlorine dioxide
JOURNAL OF PHYSICAL CHEMISTRY A
Kinetics of a Diels-Alder reaction of maleic anhydride and isoprene in supercritical CO2
JOURNAL OF PHYSICAL CHEMISTRY A
Ab initio study of the structure and polarizability of sulfur clusters, S-n (n=2-12)
JOURNAL OF PHYSICAL CHEMISTRY A
Microwave-induced quantum beats in micellized radical pairs under spin-locking conditions
JOURNAL OF PHYSICAL CHEMISTRY A
Reaction rate prediction via group additivity Part 1: H abstraction from alkanes by H and CH3
JOURNAL OF PHYSICAL CHEMISTRY A
First-principle molecular dynamic simulations along the intrinsic reactionpaths
JOURNAL OF PHYSICAL CHEMISTRY A
Hardness profile: A critical study
JOURNAL OF PHYSICAL CHEMISTRY A
Reaction pathways of the electron transfer from photoexcited 10-methylphenothiazines to electron acceptors in polar solvents. Effects of magnetic fields and heavy atoms on efficiency of free ion formation
JOURNAL OF PHYSICAL CHEMISTRY A
Dynamics of the H+O-2 -> O+OHchain-branching reaction: Accurate quantum mechanical and experimental absolute reaction cross sections
JOURNAL OF PHYSICAL CHEMISTRY A
Reactive and nonreactive quenching of OH(A (2)Sigma(+)) in collisions withH atoms
JOURNAL OF PHYSICAL CHEMISTRY A
Distribution of rovibrational product states for the "prompt" reaction H+D-2(nu=0,j=0-4) -> HD(nu '=1,2,j ')+D near 1.6 eV collision energy
JOURNAL OF PHYSICAL CHEMISTRY A
Reactive scattering dynamics on conically intersecting potential energy surfaces: The H+H-2 exchange reaction
JOURNAL OF PHYSICAL CHEMISTRY A
Anharmonic semiclassical variational transition-state theory rate constantmodel for H atom association with different sites on the diamond {111} surface
JOURNAL OF PHYSICAL CHEMISTRY A
Nebular thermal evolution and the properties of primitive planetary materials
METEORITICS & PLANETARY SCIENCE
Control of elementary chemical reactions by femtosecond light pulses
QUANTUM ELECTRONICS
Semiclassical quantization of strongly chaotic vibrations in an M-7-like cluster - art. no. 056223
PHYSICAL REVIEW E
Breathing current domains in globally coupled electrochemical systems: A comparison with a semiconductor model - art. no. 056229
PHYSICAL REVIEW E
Driven electron transfer in an environment with slow and fast degrees of freedom - art. no. 016104
PHYSICAL REVIEW E
Simulation of enzymatic cellular reactions complicated by phase separation- art. no. 011908
PHYSICAL REVIEW E
Experimental and modelling studies with mixers for potential use with fastpolymerisations in tubular reactors
POLYMER REACTION ENGINEERING
Four-wave mixing with Rydberg levels in rubidium vapor: Observation of interference fringes - art. no. 063406
PHYSICAL REVIEW A
Optimal control of wave-packet isotope separation - art. no. 043407
PHYSICAL REVIEW A
Monte Carlo technique to simulate amide interchange reactions, 1 - Basic model and PA6/PA69 blend system
MACROMOLECULAR CHEMISTRY AND PHYSICS
Monte Carlo simulation of hyperbranched copolymerizations in the presence of a multifunctional initiator
MACROMOLECULAR THEORY AND SIMULATIONS
Homoclinical chaos and the period-adding route to complex non-chaotic attractors in fluidized bed catalytic reactors
CHAOS SOLITONS & FRACTALS
Atom-molecule collisions; the role of nuclear dynamics
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
Oscillatory reaction of bromate-gallic acid. A calorimetric and electrometric study in aquo-organic solvent media
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS
Preparation and characterization of micrometer-sized "egg shells"
ADVANCED MATERIALS
Diffusion and Island formation on the ice Ih basal plane surface
COMPUTATIONAL MATERIALS SCIENCE
Partial oxidation of propane in sub- and supercritical water
JOURNAL OF SUPERCRITICAL FLUIDS
Perturbed-chain SAFT: An equation of state based on a perturbation theory for chain molecules
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
Dynamics and control of an ethyl acetate reactive distillation column
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
Sonochemistry: Environmental science and engineering applications
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
Generic Monte Carlo tool for kinetic modeling
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
The effect of the liquid-phase activity model on the simulation ethyl acetate production by reactive distillation
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
Mechanochemistry of the titanium-silicon system: Compositional effects
JOURNAL OF MATERIALS RESEARCH
Spectroscopic study of CO2 decomposition in sealed-off CO2 lasers
CONTRIBUTIONS TO PLASMA PHYSICS
Effect of transition metal ions on reactions of peroxymonosulphate with lignin and carbohydrate model compounds
JOURNAL OF PULP AND PAPER SCIENCE
Reduction of Ag(CN)(2)(-) on silver and platinum colloidal nanoparticles
LANGMUIR
Synthesis and characterization of monodisperse core-shell colloidal spheres of zinc sulfide and silica
LANGMUIR
Plasma chemistry in laser ablation processes
SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY
Multiple-well, multiple-path unimolecular reaction systems. I. MultiWell computer program suite
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS
Multiple-well, multiple-path unimolecular reaction systems. II. 2-methylhexyl free radicals
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS
Patterned modification of polymer surfaces employing UV sensitive gases
SYNTHETIC METALS
Properties of polymer conducting thin layers on the surface of microporouspolyethylene films
SYNTHETIC METALS
On stochastic formalisms in transition state theory
PHYSICA A
Solid-liquid equilibria based on an equation of state for chain fluids
FLUID PHASE EQUILIBRIA
Transient ISEELS: a new probe of chemical reactions
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA
Reduced dimensionality quantum reactive scattering calculations on the ab initio potential energy surface for the O(D-1)+N2O -> NO+NOreaction
CHEMICAL PHYSICS
Quantum transition state theory for dissipative systems
CHEMICAL PHYSICS
Quantum wavefunction controllability
CHEMICAL PHYSICS
Control of non-Franck-Condon transitions: lighting a dark state
CHEMICAL PHYSICS
Selective preparation of enantiomers from a racemate by laser pulses: model simulation for oriented atropisomers with coupled rotations and torsions
CHEMICAL PHYSICS
Optical control of electronic state populations via the dynamic Stark effect
CHEMICAL PHYSICS
Phase-tailoring molecular wave packets to time shift their dynamics
CHEMICAL PHYSICS
Problem complexity in femtosecond quantum control
CHEMICAL PHYSICS
Two-dimensional spectroscopy and harmonically coupled anharmonic oscillators
CHEMICAL PHYSICS
Calcium-strontium separation by means of mixed solvent anion exchange
JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY
On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states
JOURNAL OF COMPUTATIONAL CHEMISTRY
Effects of surface corrugation on the molecular rotational dependence of H-2 dissociative adsorption dynamics on Cu(100)
APPLIED SURFACE SCIENCE
Velocity distribution of desorbing CO2 in CO oxidation on Pd(110) under steady-state conditions
APPLIED SURFACE SCIENCE
Optics of microdroplets
JOURNAL OF MOLECULAR LIQUIDS
Migration tendencies of alkyl groups in the rearrangements of lithium trialkyl ethynyl borates: semi-empirical analysis of the transition state
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Effects of temperature and Ar+ ion bombardment on the initial oxidation stages of polycrystalline aluminium with water vapour
SURFACE AND INTERFACE ANALYSIS
Analysis of residue curve maps of reactive and extractive distillation units
COMPUTERS & CHEMICAL ENGINEERING
Iterated reaction graphs: Simulating complex Maillard reaction pathways
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
Replication and mutation on neutral networks
BULLETIN OF MATHEMATICAL BIOLOGY