Results 261 to 270 of about 9,586,286 (339)

Molecular dynamics calculation of activation volumes

Phys. Chem. Chem. Phys., 2011
We propose a novel approach toward calculating activation and reaction volumes based on MD simulations of reaction systems. The accuracy of the calculated volumes, verified by the comparison to the experimental data, is suitable for quantitative analysis of the experimental volumes of activations in terms of structural parameters of the corresponding ...
Elna, Deglint, Heather, Martens, Essex, Edwards, Nicholas, Boon, Paul, Dance, Noham, Weinberg   +5 more
openaire   +2 more sources

Molecular dynamics calculation of molecular volumes and volumes of activation

Physical Chemistry Chemical Physics, 2012
Experimentally, the effects of pressure on reaction rates are described by their pressure derivatives, known as volumes of activation. Transition state theory directly links activation volumes to partial molar volumes of reactants and transition states.
J, Spooner, H, Wiebe, N, Boon, E, Deglint, E, Edwards, B, Yanciw, B, Patton, L, Thiele, P, Dance, N, Weinberg   +9 more
openaire   +2 more sources

Activation Volume in Shear-Driven Chemical Reactions

Tribology letter, 2021
A. Martini, Seong H. Kim
semanticscholar   +1 more source

Volume MIC balanced active multiplier

2005 European Microwave Conference, 2005
This paper describes a volume balanced MIC (microwave integrated circuit) active multiplier. The circuit uses a microstrip line, a balun consisting of balanced suspended transmission lines and a coplanar waveguide on both sides of the substrate. The multipliers have been designed at the 17 GHz and fabricated on a soft substrate, and good performance ...
V.S. Voshchenko, null Young Gyun Kim, null Mun Ho Choi, null Soon Chul Jeong   +3 more
openaire   +1 more source

ClC-2 Activation Modulates Regulatory Volume Decrease

Journal of Membrane Biology, 1999
ClC-2 belongs to a large family of chloride channels and its expression in certain cell types is associated with the appearance of swelling-activated chloride (Cl-) currents. In the present report, we examined the hypothesis that ClC-2 plays a role in regulatory volume decrease by expressing ClC-2 in Sf9 cells using the baculovirus system.
H, Xiong, C, Li, E, Garami, Y, Wang, M, Ramjeesingh, K, Galley, C E, Bear   +6 more
openaire   +2 more sources

Surface reconstruction accuracy for active volume intersection

Pattern Recognition Letters, 1996
Volume intersection algorithms reconstruct 3D objects from 2D silhouettes. Reconstruction accuracy and speed are strongly affected by the choice of the viewpoints. This paper shows that recent theoretical developments make it possible to define a surface reconstruction accuracy that only depends on the reconstructed object.
openaire   +3 more sources

“Phantom Activation Volumes” Are Indeed Real Activation Volumes

The Journal of Physical Chemistry A, 2002
Christian F. Weber, Rudi van Eldik
openaire   +1 more source

Activation energy and activation volume in electrode kinetics

Electrochimica Acta, 1968
Abstract A unified treatment of activation energy and activation volume is developed, based upon absolute reaction-rate theory. The treatment is generalized to include complex higher-order charge-transfer mechanisms. Rigorous equations are derived for the standard enthalpy and standard volume of activation. The common experimental quantities are then
openaire   +1 more source

A Perspective on Strain Hardening Behavior of Materials Considering Mobile Dislocation Density and Activation Volume

Metallurgical and Materials Transactions. A, 2019
Sumeet R. Mishra, V. Beura, A. Singh, M. Yadava   +3 more
semanticscholar   +1 more source

Radiation therapy‐associated toxicity: Etiology, management, and prevention

Ca-A Cancer Journal for Clinicians, 2021
Kyle Wang
exaly