The green's function density functional tight-binding (gDFTB) method for molecular electronic conduction

Jeffrey R. Reimers; Gemma C. Solomon; Alessio Gagliardi; Ante Bilic; Noel S. Hush; Thomas Frauenheim; Aldo Di Carlo; Alessandro Pecchia

doi:10.1021/jp070598y

The green's function density functional tight-binding (gDFTB) method for molecular electronic conduction

Jeffrey R. Reimers, Gemma C. Solomon, Alessio Gagliardi, Ante Bilic, Noel S. Hush, Thomas Frauenheim, Aldo Di Carlo, Alessandro Pecchia

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

32 Citationer (Scopus)

Originalsprog	Engelsk
Tidsskrift	Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
Vol/bind	111
Udgave nummer	26
Sider (fra-til)	5692-5702
Antal sider	11
ISSN	1089-5639
DOI	https://doi.org/10.1021/jp070598y
Status	Udgivet - 2007
Udgivet eksternt	Ja

Adgang til dokumentet

10.1021/jp070598y

Citationsformater

Reimers, J. R., Solomon, G. C., Gagliardi, A., Bilic, A., Hush, N. S., Frauenheim, T., Di Carlo, A., & Pecchia, A. (2007). The green's function density functional tight-binding (gDFTB) method for molecular electronic conduction. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 111(26), 5692-5702. https://doi.org/10.1021/jp070598y

The green's function density functional tight-binding (gDFTB) method for molecular electronic conduction. / Reimers, Jeffrey R.; Solomon, Gemma C.; Gagliardi, Alessio; Bilic, Ante; Hush, Noel S.; Frauenheim, Thomas; Di Carlo, Aldo; Pecchia, Alessandro.

I: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Bind 111, Nr. 26, 2007, s. 5692-5702.

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

Reimers, JR, Solomon, GC, Gagliardi, A, Bilic, A, Hush, NS, Frauenheim, T, Di Carlo, A & Pecchia, A 2007, 'The green's function density functional tight-binding (gDFTB) method for molecular electronic conduction', Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, bind 111, nr. 26, s. 5692-5702. https://doi.org/10.1021/jp070598y

Reimers, Jeffrey R. ; Solomon, Gemma C. ; Gagliardi, Alessio ; Bilic, Ante ; Hush, Noel S. ; Frauenheim, Thomas ; Di Carlo, Aldo ; Pecchia, Alessandro. / The green's function density functional tight-binding (gDFTB) method for molecular electronic conduction. I: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 2007 ; Bind 111, Nr. 26. s. 5692-5702.

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AU - Di Carlo, Aldo

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