Add to ORKGExpanding and testing a computational method for predicting the ground state reduction potentials of organic molecules on the basis of empirical correlation to experiment
Theoretical and computational chemistry, in particular: electron correlation structure methods; auto...
A set of mathematical expressions to predict redox potentials and frontier orbital energy levels for...
Additional resources and features associated with this article are available within the HTML version...
A method for predicting the ground state reduction potentials of organic molecules on the basis of t...
A method for predicting the ground state reduction potentials of organic molecules on the basis of t...
A method for predicting the ground state reduction potentials of organic molecules on the basis of t...
A simple computational approach for predicting ground-state reduction potentials based upon gas phas...
A simple computational approach for predicting ground-state reduction potentials based upon gas phas...
We describe and evaluate a method for computationally predicting reduction potentials of a diverse g...
We have trained the Extreme Minimum Learning Machine (EMLM) machine learning model to predict chemic...
High-throughput computational screening (HTCS) is a powerful approach for the rational and time-effi...
Data shown corresponds to reactions where carbonyls are reduced to hydroxycarbons (group G2). (A) Qu...
One of the central concerns of computational chemistry is that of efficiency (i.e. the development o...
(A) The four different redox reaction categories considered here are reduction of a carboxylic acid ...
Discovering new materials for energy storage requires reliable and efficient protocols for predictin...
Theoretical and computational chemistry, in particular: electron correlation structure methods; auto...
A set of mathematical expressions to predict redox potentials and frontier orbital energy levels for...
Additional resources and features associated with this article are available within the HTML version...
A method for predicting the ground state reduction potentials of organic molecules on the basis of t...
A method for predicting the ground state reduction potentials of organic molecules on the basis of t...
A method for predicting the ground state reduction potentials of organic molecules on the basis of t...
A simple computational approach for predicting ground-state reduction potentials based upon gas phas...
A simple computational approach for predicting ground-state reduction potentials based upon gas phas...
We describe and evaluate a method for computationally predicting reduction potentials of a diverse g...
We have trained the Extreme Minimum Learning Machine (EMLM) machine learning model to predict chemic...
High-throughput computational screening (HTCS) is a powerful approach for the rational and time-effi...
Data shown corresponds to reactions where carbonyls are reduced to hydroxycarbons (group G2). (A) Qu...
One of the central concerns of computational chemistry is that of efficiency (i.e. the development o...
(A) The four different redox reaction categories considered here are reduction of a carboxylic acid ...
Discovering new materials for energy storage requires reliable and efficient protocols for predictin...
Theoretical and computational chemistry, in particular: electron correlation structure methods; auto...
A set of mathematical expressions to predict redox potentials and frontier orbital energy levels for...
Additional resources and features associated with this article are available within the HTML version...