/ Home
/ SUBMISSION

/ The BJNANO
/ Diamond Open Access
/ Journal Statistics
/ Editorial Board
/ Community
/ Call for papers

/ Latest Articles
/ Most accessed
/ Thematic issues
/ Volumes
/ Authors

/ Alerts

/ TWITTER
/ LINKEDIN
/ Mastodon
/ RSS FEED

Empty search

Article Type

Publication Date Range

Search Tips

This search combines search strings from the content search (i.e. "Full Text", "Author", "Title", "Abstract", or "Keywords") with "Article Type" and "Publication Date Range" using the AND operator.

Search Examples

aromatic	the word “aromatic”
aromatic aldehyde	the word “aromatic” OR “aldehyde”
+aromatic +aldehyde	both words “aromatic” AND “aldehyde”
+aromatic -aldehyde	the word “aromatic” but NOT “aldehyde”
“aromatic aldehyde”	the exact phrase “aromatic aldehyde”
benz*	words which begin with “benz”, such as “benzene” or “benzyl”
benz*yl	words that begin with “benz” and end with “yl”, such as “benzyl” or “benzoyl”
benzyl~	words that are close to the word “benzyl”, such as “benzoyl” (i.e., fuzzy search)

BROWSE
Latest Articles
Most accessed
thematic issues
volumes
authors

BROWSE

Latest Articles Most Accessed Thematic Issues Volumes Authors

Author

1 article(s) from Olevano, Valerio

Can molecular projected density of states (PDOS) be systematically used in electronic conductance analysis?

Tonatiuh Rangel,
Gian-Marco Rignanese and
Valerio Olevano

Beilstein J. Nanotechnol. 2015, 6, 1247–1259, doi:10.3762/bjnano.6.128

PDF

Figure 1: Electronic density isosurfaces (red) of the HOMO−1, HOMO, LUMO and LUMO+1 molecular orbitals of BDA...

Jump to Figure 1

Figure 2: Projected density of states (a,b) and conductance (c) of benzene-diamine (BDA). The PDOS for the di...

Jump to Figure 2

Figure 3: Total molecular PDOS (red line) and conductance (black line) of BDA. The total molecular PDOS is th...

Jump to Figure 3

Figure 4: Electronic density isosurfaces (red) of the HOMO−1, HOMO, LUMO and LUMO+1 molecular orbitals of BDT...

Jump to Figure 4

Figure 5: Projected density of states (a,b,c) and conductance (d) of benzene-dithiol in the pyramidal geometr...

Jump to Figure 5

Figure 6: Scheme representing the integration volume (shadowed area passing through the two S atoms of the BD...

Jump to Figure 6

Figure 7: Projected density of states (a,b,c,d) and conductance (e) of benzene-dithiol in the hollow geometry...

Jump to Figure 7

Figure 8: Using the Marzari–Vanderbilt algorithm, three different sets of Wannier functions (WFs) with compar...

Jump to Figure 8

Album

Full Research Paper

Published 02 Jun 2015

Full text

Other Beilstein-Institut Open Science Activities

/ Help / Support & Contact / Alerts / Privacy Policy / Terms & Conditions / Impressum