List of works - Xiao Wang

1,1-Dilithioethylene: Toward Spectroscopic Identification of the Definitive Singlet Ground Electronic State of a Peculiar Structure.

scientific article published on April 2016

A Twist of the Twist Mechanism, 2-Iodoxybenzoic Acid (IBX)-Mediated Oxidation of Alcohol Revisited: Theory and Experiment.

scientific article published on 22 November 2017

Absorption Spectra of Solids from Periodic Equation-of-Motion Coupled-Cluster Theory

scientific article published on 24 September 2021

Characterizing a nonclassical carbene with coupled cluster methods: cyclobutylidene

scientific article published on 19 August 2016

Efficient evaluation of exact exchange for periodic systems via concentric atomic density fitting

scientific article published on 01 September 2020

Electrolyte Chemistry Enables Simultaneous Stabilization of Potassium Metal and Alloying Anode for Potassium-Ion Batteries

scientific article published on 26 September 2019

Excitons in Solids from Periodic Equation-of-Motion Coupled-Cluster Theory

scientific article published on 09 April 2020

Functionalized gold nanoparticles as nanosensor for sensitive and selective detection of silver ions and silver nanoparticles by surface-enhanced Raman scattering

scientific article published on 29 June 2012

Massively Parallel Quantum Chemistry: A high-performance research platform for electronic structure

scientific article published on 01 July 2020

Micro/nanoscale hierarchical structured ZnO mesh film for separation of water and oil.

scientific article published on 18 July 2011

Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

scientific article

Radicals derived from acetaldehyde and vinyl alcohol.

scientific article

Recent developments in the PySCF program package

scientific article published on 01 July 2020

Revisiting the effect of f-functions in predicting the right reaction mechanism for hypervalent iodine reagents

scientific article published on 11 December 2020

Robust Pipek–Mezey Orbital Localization in Periodic Solids

scientific article published on 05 November 2021

Spin-Adapted Formulation and Implementation of Density Cumulant Functional Theory with Density-Fitting Approximation: Application to Transition Metal Compounds.

scientific article published on 8 September 2016

Twisted triplet ethylene: anharmonic frequencies and spectroscopic parameters for C2H4, C2D4, and (13)C2H4

scientific article published on 16 April 2014

List of works by Xiao Wang