Singlet-triplet energy gaps for diradicals from fractional-spin density-functional theory
Publication
, Journal Article
Ess, DH; Johnson, ER; Hu, XQ; Yang, WT
Published in: Journal of Physical Chemistry A
2011
Duke Scholars
Published In
Journal of Physical Chemistry A
Publication Date
2011
Issue
115
Start / End Page
76 / 83
Related Subject Headings
- 5102 Atomic, molecular and optical physics
- 3407 Theoretical and computational chemistry
- 3406 Physical chemistry
- 0307 Theoretical and Computational Chemistry
- 0306 Physical Chemistry (incl. Structural)
- 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics
Citation
APA
Chicago
ICMJE
MLA
NLM
Ess, D. H., Johnson, E. R., Hu, X. Q., & Yang, W. T. (2011). Singlet-triplet energy gaps for diradicals from fractional-spin density-functional theory. Journal of Physical Chemistry A, (115), 76–83.
Ess, D. H., E. R. Johnson, X. Q. Hu, and W. T. Yang. “Singlet-triplet energy gaps for diradicals from fractional-spin density-functional theory.” Journal of Physical Chemistry A, no. 115 (2011): 76–83.
Ess DH, Johnson ER, Hu XQ, Yang WT. Singlet-triplet energy gaps for diradicals from fractional-spin density-functional theory. Journal of Physical Chemistry A. 2011;(115):76–83.
Ess, D. H., et al. “Singlet-triplet energy gaps for diradicals from fractional-spin density-functional theory.” Journal of Physical Chemistry A, no. 115, 2011, pp. 76–83.
Ess DH, Johnson ER, Hu XQ, Yang WT. Singlet-triplet energy gaps for diradicals from fractional-spin density-functional theory. Journal of Physical Chemistry A. 2011;(115):76–83.
Published In
Journal of Physical Chemistry A
Publication Date
2011
Issue
115
Start / End Page
76 / 83
Related Subject Headings
- 5102 Atomic, molecular and optical physics
- 3407 Theoretical and computational chemistry
- 3406 Physical chemistry
- 0307 Theoretical and Computational Chemistry
- 0306 Physical Chemistry (incl. Structural)
- 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics