"Machine Learning Methods to Predict Density Functional Theory B3LYP ..."

Florbela Pereira et al. (2017)

> Home

Details and statistics

DOI: 10.1021/ACS.JCIM.6B00340

access: closed

type: Journal Article

metadata version: 2020-03-06

- view
  - electronic edition via DOI
  - unpaywalled version
  authority control:
- export record
  dblp key:
  - journals/jcisd/PereiraXLWZA17
- ask others
- share record
  persistent URL:
  - https://dblp.org/rec/journals/jcisd/PereiraXLWZA17
Florbela Pereira, Kaixia Xiao, Diogo A. R. S. Latino, Chengcheng Wu, Qing-You Zhang, João Aires-de-Sousa:
Machine Learning Methods to Predict Density Functional Theory B3LYP Energies of HOMO and LUMO Orbitals. J. Chem. Inf. Model. 57(1): 11-21 (2017)

manage site settings

To protect your privacy, all features that rely on external API calls from your browser are turned off by default. You need to opt-in for them to become active. All settings here will be stored as cookies with your web browser. For more information see our F.A.Q.