Integrating Computational Tools in the Design and Development of Asymmetric Catalysts and Enzyme Inhibitors
S Pinus - 2023 - search.proquest.com
Chiral molecules are important in many biological, pharmaceutical, and industrial processes
due to their asymmetric structures. One method for synthesizing chiral molecules with …
due to their asymmetric structures. One method for synthesizing chiral molecules with …
[图书][B] Computational Investigations of Transition Metal Catalyzed Reaction Mechanisms and the Verification of Q2MM Predictions
MP Maloney - 2023 - search.proquest.com
The computational chemistry community has long sought to develop predictive methods to
accelerate experimental studies. Understanding chemical transformations is a critical step in …
accelerate experimental studies. Understanding chemical transformations is a critical step in …
[图书][B] Development of Transition State Force Field Parameters for Asymmetric Reactions to Predict Stereoselectivity and to Gain Insight into the Interactions Dictating …
J Wahlers - 2021 - search.proquest.com
In the pharmaceutical industry, the absolute configurations of chiral compounds need to be
produced with high purity. Asymmetric catalysis has been used to generate products with …
produced with high purity. Asymmetric catalysis has been used to generate products with …
[图书][B] Development of RT-TDDFT for the Interaction with the Explicit Solvent and for Correct Description of Excitation Process
KJ Koh - 2020 - search.proquest.com
The electronic energy transfer processes in natural systems, such as the light harvesting
pigment protein complexes, and semiconductors, such as photovoltaic devices, occur via …
pigment protein complexes, and semiconductors, such as photovoltaic devices, occur via …