Search filters

List of works by Jiali Gao

A leap in quantum efficiency through light harvesting in photoreceptor UVR8

scientific article published on 28 August 2020

Beyond Kohn-Sham Approximation: Hybrid Multistate Wave Function and Density Functional Theory.

scientific article

Block-Localized Excitation for Excimer Complex and Diabatic Coupling

scientific article published on 28 December 2020

CARNOT: a Fragment-Based Direct Molecular Dynamics and Virtual–Reality Simulation Package for Reactive Systems

scientific article published on 07 February 2022

Correction to Variational Multistate Density Functional Theory for a Balanced Treatment of Static and Dynamic Correlations

scientific article published on 26 August 2020

Cushing's syndrome driver mutation disrupts protein kinase A allosteric network, altering both regulation and substrate specificity

scientific article published on 28 August 2019

Diabatic States at Construction (DAC) through Generalized Singular Value Decomposition

scientific article published on 04 October 2018

Diabatic-At-Construction Method for Diabatic and Adiabatic Ground and Excited States Based on Multistate Density Functional Theory.

scientific article published on 30 January 2017

Enhanced receptor binding of SARS-CoV-2 through networks of hydrogen-bonding and hydrophobic interactions

scientific article published on 05 June 2020

Enhanced vibrational solvatochromism and spectral diffusion by electron rich substituents on small molecule silanes

scientific article published in September 2017

Generalization of Block-Localized Wave Function for Constrained Optimization of Excited Determinants

scientific article published on 24 December 2020

Origin of Free Energy Barriers of Decarboxylation and the Reverse Process of CO<sub>2</sub> Capture in Dimethylformamide and in Water

scientific article published on 29 December 2020

Perturbation Approach for Computing Infrared Spectra of the Local Mode of Probe Molecules.

scientific article published on 7 December 2016

Spin-Multiplet Components and Energy Splittings by Multistate Density Functional Theory.

scientific article

The Stories Tryptophans Tell: Exploring Protein Dynamics of Heptosyltransferase I from Escherichia coli

scientific article published on 18 January 2017

Paulina is supported by:

About Paulina

Help