Results 201 to 210 of about 23,966 (226)
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The Journal of Chemical Physics, 2008
We obtain the parameters of the exciton scattering (ES) model from the quantum-chemical calculations of the electronic excitations in simple phenylacetylene-based molecules. We determine the exciton dispersion and the frequency-dependent scattering matrices which describe scattering properties of the molecular ends as well as of meta- and ...
Chao, Wu +3 more
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We obtain the parameters of the exciton scattering (ES) model from the quantum-chemical calculations of the electronic excitations in simple phenylacetylene-based molecules. We determine the exciton dispersion and the frequency-dependent scattering matrices which describe scattering properties of the molecular ends as well as of meta- and ...
Chao, Wu +3 more
openaire +2 more sources
Chemical Research in Toxicology, 1995
The present study describes quantitative structure--activity relationships (QSAR's) for the overall rate of conjugation of a series of fluoronitrobenzenes catalyzed by cytosolic glutathione S-transferases based on experimental data and outcomes of computer calculations.
Rietjens, I.M.C.M. +4 more
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The present study describes quantitative structure--activity relationships (QSAR's) for the overall rate of conjugation of a series of fluoronitrobenzenes catalyzed by cytosolic glutathione S-transferases based on experimental data and outcomes of computer calculations.
Rietjens, I.M.C.M. +4 more
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Volume 12: Turbomachinery: Multidisciplinary Design Approaches, Optimization, and Uncertainty Quantification; Turbomachinery: Radial Turbomachinery Aerodynamics; Turbomachinery: Unsteady Flows in Turbomachinery; Wind Energy; Special Lecture (Invited Only)
Abstract The energy conversion of aero engines is borne by turbines, which are closely related with engine performance and service life. In order to operate stably in harsh conditions and high-temperature inflow environments, sophisticated cooling structures are needed to help reduce blade temperature, alleviate thermal stress, and ...
Hao Chen +3 more
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Abstract The energy conversion of aero engines is borne by turbines, which are closely related with engine performance and service life. In order to operate stably in harsh conditions and high-temperature inflow environments, sophisticated cooling structures are needed to help reduce blade temperature, alleviate thermal stress, and ...
Hao Chen +3 more
openaire +1 more source
Calculation of the parameters of zero-field splitting for triplet states of conjugated systems
Journal of Structural Chemistry, 1974A. V. Luzanov, V. N. Poltavets
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Some Anomalies in Parameter Choices for SCF Calculations on Heteroatomic Conjugated Systems
The Journal of Chemical Physics, 1966D. R. Land, F. L. Pilar
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Conjugate Calculation of Gas Turbine Vanes Cooled with Leading Edge Films
Chinese Journal of Aeronautics, 2009Ping Dong, Guotai Feng
exaly
Calculation method of sliding ratios for conjugate-curve gear pair and its application
Journal of Central South University, 2015Dong Liang, Bingkui Chen
exaly