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(Anti)aromatic-molecular-wires DOI: 10.19061/iochem-bd-9-15
No other publication derived
au_thiol_interface DOI: 10.19061/iochem-bd-9-5
No other publication derived
BN-work DOI: 10.19061/iochem-bd-9-13
No other publication derived
break_point DOI: 10.19061/iochem-bd-9-4
This dataset derived results are published in:
Manuscript title: Change point detection and econometrics in nanoscience data analysis
break_point_analysis DOI: 10.19061/iochem-bd-9-7
Structures for the transmission calculations in the paper "Change point detection and econometrics in nanoscience data analysis"
This dataset derived results are published in:
Manuscript title: Change point detection and econometrics in nanoscience data analysis
conformational_dualism DOI: 10.19061/iochem-bd-9-8
This dataset derived results are published in:
Manuscript title: A Molecular Engineering Approach to Conformationally Regulated Conductance Dualism in a Molecular Junction
cumulenes
No other publication derived
current_density_mo
Molecules for "Understanding Current Density In Molecules Using Molecular Orbitals"
No other publication derived
ELM-Forces
No other publication derived
heat_insulator DOI: 10.19061/iochem-bd-9-6
Molecules for the paper "A Heavy Solution for Molecular Heat Management: Phonon Transport Suppression with Heavy Atoms"
This dataset derived results are published in:
Manuscript title: A Heavy Solution for Molecular Heat Management: Phonon Transport Suppression with Heavy Atoms
NHC-switch
No other publication derived
NPN-PNP DOI: 10.19061/iochem-bd-9-9
No other publication derived
pulling_bipyridine DOI: 10.19061/iochem-bd-9-14
No other publication derived
pulling_gold_junctions DOI: 10.19061/iochem-bd-9-11
No other publication derived
quantifying_helicality
Molecules for the paper "Quantification of the Helicality of Helical Molecular Orbitals"
This dataset derived results are published in:
Manuscript title: Quantification of the Helicality of Helical Molecular Orbitals
SMeDACOPV
No other publication derived
Ultra-Thin-Highly-Insulating-NHCs DOI: 10.19061/iochem-bd-9-12
No other publication derived
Discover
- 143 GGAPBE
 - 58 DFT
 - 43 RPBEPBE
 - 11 RwB97XD
 - 10 RPBE1PBE
 - 4 RM052X
 - 2 RHF
 - 1 RDSDPBEP86-FC
 - 1 RrevTPSSrevTPSS
 - 1 UwB97XD