Molecular Complexity-Inspired Synthetic Strategies toward the Calyciphylline A‑Type Daphniphyllum Alkaloids Himalensine A and Daphenylline.

Autor: Wright, Brandon A., Okada, Taku, Regni, Alessio, Luchini, Guilian, Sowndarya S. V, Shree, Chaisan, Nattawadee, Kölbl, Sebastian, Kim, Sojung F., Paton, Robert S., Sarpong, Richmond

Publikováno v: Journal of the American Chemical Society; 12/4/2024, Vol. 146 Issue 48, p33130-33148, 19p

A quantitative metric for organic radical stability and persistence using thermodynamic and kinetic features.

Autor: Sowndarya S. V., Shree, St. John, Peter C., Paton, Robert S.

Publikováno v: Chemical Science; 10/21/2021, Vol. 12 Issue 39, p13158-13166, 9p

Performance of Property-Optimized Basis Sets for Optical Rotation with Coupled Cluster Theory.

Autor: Howard, J. Coleman, Sowndarya S. V., Shree, Ansari, Imaad M., Mach, Taylor J., Baranowska-Łączkowska, Angelika, Crawford, T. Daniel

Publikováno v: Journal of Physical Chemistry A; 7/19/2018, Vol. 122 Issue 29, p5962-5969, 8p

Rapid prediction of conformationally-dependent DFT-level descriptors using graph neural networks for carboxylic acids and alkyl amines.

Autor: Haas BC; Department of Chemistry, University of Utah Salt Lake City Utah 84112 USA matt.sigman@utah.edu., Hardy MA; Department of Chemistry, University of Utah Salt Lake City Utah 84112 USA matt.sigman@utah.edu., Sowndarya S V S; Department of Chemistry, Colorado State University Fort Collins Colorado 80523 USA robert.paton@colostate.edu., Adams K; Department of Chemical Engineering, Massachusetts Institute of Technology Cambridge Massachusetts 02139 USA ccoley@mit.edu., Coley CW; Department of Chemical Engineering, Massachusetts Institute of Technology Cambridge Massachusetts 02139 USA ccoley@mit.edu.; Department of Electrical Engineering and Computer Science, Massachusetts Institute of Technology Cambridge Massachusetts 02139 USA., Paton RS; Department of Chemistry, Colorado State University Fort Collins Colorado 80523 USA robert.paton@colostate.edu., Sigman MS; Department of Chemistry, University of Utah Salt Lake City Utah 84112 USA matt.sigman@utah.edu.

Publikováno v: Digital discovery [Digit Discov] 2024 Nov 28. Date of Electronic Publication: 2024 Nov 28.