Results 211 to 220 of about 8,164,435 (267)
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Journal of Chemical Information and Modeling, 2015
Fingerprint methods applied to molecules have proven to be useful for similarity determination and as inputs to machine-learning models. Here, we present the development of a new fingerprint for chemical reactions and validate its usefulness in building ...
Nadine Schneider +3 more
semanticscholar +1 more source
Fingerprint methods applied to molecules have proven to be useful for similarity determination and as inputs to machine-learning models. Here, we present the development of a new fingerprint for chemical reactions and validate its usefulness in building ...
Nadine Schneider +3 more
semanticscholar +1 more source
1984
The essential requirement for an effective three-way catalyst is high conversions of NOx, CO, and hydrocarbons at and near the stoichiometrically balanced exhaust composition. In general, performance is limited by low conversions of CO and hydrocarbons as the A/F is changed in the reducing (rich) direction and decreased conversion of NO(NOx) as the A/F
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The essential requirement for an effective three-way catalyst is high conversions of NOx, CO, and hydrocarbons at and near the stoichiometrically balanced exhaust composition. In general, performance is limited by low conversions of CO and hydrocarbons as the A/F is changed in the reducing (rich) direction and decreased conversion of NO(NOx) as the A/F
openaire +2 more sources
Ideas of Quantum Chemistry, 2018
Steed Webzell visits one of the world’s few independent Nadcap-approved specialists in electrochemical machining, ECM Developments, discovering a field of largely untapped capability and ...
L. Piela
semanticscholar +1 more source
Steed Webzell visits one of the world’s few independent Nadcap-approved specialists in electrochemical machining, ECM Developments, discovering a field of largely untapped capability and ...
L. Piela
semanticscholar +1 more source
Role of frontier orbitals in chemical reactions.
Science, 1982Since the 3rd century for more than a thousand years chemistry has been thought of as a complicated, hard-to-predict science. Efforts to improve even a part of its unpredictable character are said to have born fruit first of all in the success of the ...
K. Fukui
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Nonadiabatic chemical reactions
Computer Physics Communications, 2005A mixed quantum-classical approach where the environment is treated classically and the reactive degrees of freedom are considered to be quantum mechanical can be used to describe many chemical reactions, such as proton and electron transfer processes.
SERGI, ALESSANDRO, Kapral, Raymond
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Dissolution with Chemical Reactions: Reversible versus Irreversible Chemical Reactions
Journal of Pharmaceutical Sciences, 1990Abstract To the Editor: A publication by Mooney et al. described the rate of dissolution with reversible chemical reactions under buffered conditions. Their model, shown in Figure 1, was modified from a theoretical model presented by Higuchi et al. This model (in refs 1 and 2) considers that hydroxide ion (OH) and the buffer (B) may diffuse into the ...
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Differentiating Instruction With Menus Advanced-Level Menus Grades 9-12, 2021
Laurie E. Westphal
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Laurie E. Westphal
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Velocity of Chemical Reactions
Science, 1929William M. Dehn, Theodore W. Evans
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2008
Chemical reaction engineering (CRE) emerged as a methodology that quantifies the interplay between transport phenomena and kinetics on a variety of scales and allows formulation of quantitative models for various measures of reactor ...
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Chemical reaction engineering (CRE) emerged as a methodology that quantifies the interplay between transport phenomena and kinetics on a variety of scales and allows formulation of quantitative models for various measures of reactor ...
openaire +2 more sources