Home
Rob Paton
Research
Group
Publications
Gallery
Tools & Data
Theses
Search
Menu Menu

Simion Robert

Simion Robert

Graduate Student

Share this entry

Share on X

/wp-content/uploads/2021/02/clear.png 0 0 Academic Web Pages /wp-content/uploads/2021/02/clear.png Academic Web Pages2021-02-08 15:14:552021-02-08 20:13:04Simion Robert

Tags

allostery arynes Asymmetric Catalysis biosynthesis C-H functionalization catalysis catalytic mechanism computation conformational analysis conformational dynamics data-mining descriptors Design DFT-D3 Dispersion Correction dynamics enantioselecitivty enantioselectivity enzyme catalysis enzymes epigenetics featurization Gaussian GNN graph network graph neural network H-bonding heterocycles Informatics ion-pairing Kinetic Isotope Effect kinetics machine learning mechanism molecular features natural products nmr non-covalent interactions Noncovalent Interactions oniom ions parameters photocatalysis photochemistry physical organic descriptors prediction python Quasiharmonic regioselectivity site-selecitivity site-selectivity software stereoselectivity Structure-Selectivity Relationships structure prediction thermochemistry Vibrational Entropy

Paton Research Group

Department of Chemistry
Colorado State University
1301 Center Avenue
Ft. Collins, CO 80523-1872
patonlab@colostate.edu

© Copyright Paton Lab. Site by Academic Web Pages

Google_scholar
Github
X
LinkedIn

Login