受强制性开放获取政策约束的文章 - Shree Sowndarya S V了解详情
无法在其他位置公开访问的文章:1 篇
Performance of property-optimized basis sets for optical rotation with coupled cluster theory
JC Howard, S Sowndarya SV, IM Ansari, TJ Mach, ...
The Journal of Physical Chemistry A 122 (28), 5962-5969, 2018
强制性开放获取政策: US National Science Foundation
可在其他位置公开访问的文章:5 篇
Real-time prediction of 1 H and 13 C chemical shifts with DFT accuracy using a 3D graph neural network
Y Guan, SVS Sowndarya, LC Gallegos, PCS John, RS Paton
Chemical Science 12 (36), 12012-12026, 2021
强制性开放获取政策: US National Science Foundation, US Department of Energy
Multi-objective goal-directed optimization of de novo stable organic radicals for aqueous redox flow batteries
SS SV, JN Law, CE Tripp, D Duplyakin, E Skordilis, D Biagioni, RS Paton, ...
Nature Machine Intelligence 4 (8), 720-730, 2022
强制性开放获取政策: US National Science Foundation, US Department of Energy
A quantitative metric for organic radical stability and persistence using thermodynamic and kinetic features
SS SV, PCS John, RS Paton
Chemical Science 12 (39), 13158-13166, 2021
强制性开放获取政策: US National Science Foundation, US Department of Energy
AQME: Automated quantum mechanical environments for researchers and educators
JV Alegre‐Requena, S Sowndarya SV, R Pérez‐Soto, TM Alturaifi, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 13 (5), e1663, 2023
强制性开放获取政策: US National Science Foundation, Government of Spain
Expansion of bond dissociation prediction with machine learning to medicinally and environmentally relevant chemical space
SS SV, Y Kim, S Kim, PCS John, RS Paton
Digital Discovery 2 (6), 1900-1910, 2023
强制性开放获取政策: US National Science Foundation, US Department of Energy
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