Jiali Gao
0000-0003-0106-7154
Purdue University
7 papers found
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Minimal Active Space for Diradicals Using Multistate Density Functional Theory
Community Reaction Network Reduction for Constructing a Coarse-Grained Representation of Combustion Reaction Mechanisms
Dynamic-then-Static Approach for Core Excitations of Open-Shell Molecules
Correction to Variational Multistate Density Functional Theory for a Balanced Treatment of Static and Dynamic Correlations
Exploring the Reaction Mechanism of HIV Reverse Transcriptase with a Nucleotide Substrate
Catalytic hydrogen atom transfer from hydrosilanes to vinylarenes for hydrosilylation and polymerization
Enhanced vibrational solvatochromism and spectral diffusion by electron rich substituents on small molecule silanes
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