A deep learning model for predicting selected organic molecular spectra.
Nat. Comput. Sci., 2023
Erratum: Basis set dependence of solute-solvent interaction energy of benzene in water: A HF/DFT study.
J. Comput. Chem., 2012
Accurate bond dissociation enthalpies by using doubly hybrid XYG3 functional.
J. Comput. Chem., 2011
An efficient first-principle approach for electronic structures calculations of nanomaterials.
J. Comput. Chem., 2008
Basis set dependence of solute-solvent interaction energy of benzene in water: A HF/DFT study.
J. Comput. Chem., 2008