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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.
In:
Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Vol. 111, No. 26, 2007, p. 5692-5702.
Research output: Contribution to journal › Journal article › Research › peer-review
Harvard
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, vol. 111, no. 26, pp. 5692-5702.
https://doi.org/10.1021/jp070598yAPA
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/jp070598yVancouver
Reimers JR
, Solomon GC, Gagliardi A, Bilic A, Hush NS, Frauenheim T et al.
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. 2007;111(26):5692-5702.
https://doi.org/10.1021/jp070598yAuthor
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. In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 2007 ; Vol. 111, No. 26. pp. 5692-5702.
Bibtex
@article{77c94009b47148ef9957d4e8ef445737,
title = "The green's function density functional tight-binding (gDFTB) method for molecular electronic conduction",
author = "Reimers, {Jeffrey R.} and Solomon, {Gemma C.} and Alessio Gagliardi and Ante Bilic and Hush, {Noel S.} and Thomas Frauenheim and {Di Carlo}, Aldo and Alessandro Pecchia",
year = "2007",
doi = "10.1021/jp070598y",
language = "English",
volume = "111",
pages = "5692--5702",
journal = "Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory",
issn = "1089-5639",
publisher = "American Chemical Society",
number = "26",
}
RIS
TY - JOUR
T1 - The green's function density functional tight-binding (gDFTB) method for molecular electronic conduction
AU - Reimers, Jeffrey R.
AU - Solomon, Gemma C.
AU - Gagliardi, Alessio
AU - Bilic, Ante
AU - Hush, Noel S.
AU - Frauenheim, Thomas
AU - Di Carlo, Aldo
AU - Pecchia, Alessandro
PY - 2007
Y1 - 2007
U2 - 10.1021/jp070598y
DO - 10.1021/jp070598y
M3 - Journal article
C2 - 17530826
VL - 111
SP - 5692
EP - 5702
JO - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
JF - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
SN - 1089-5639
IS - 26
ER -
