Limitations of Global Hybrids in Predicting the Geometries and Torsional Energy Barriers of Dimeric Systems and the Role of Hartree Fock and DFT Exchange

Vikramaditya, T.T.VikramadityaLin, S.-T.S.-T.LinSHIANG-TAI LIN2020-01-062020-01-062019https://scholars.lib.ntu.edu.tw/handle/123456789/445734Limitations of Global Hybrids in Predicting the Geometries and Torsional Energy Barriers of Dimeric Systems and the Role of Hartree Fock and DFT Exchangejournal article10.1002/jcc.260562-s2.0-85071034225https://www.scopus.com/inward/record.uri?eid=2-s2.0-85071034225&doi=10.1002%2fjcc.26056&partnerID=40&md5=e3663106685f3ad07e9bace0f54feae9