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au_thiol_interface DOI: 10.19061/iochem-bd-9-5
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
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
Discover
- 114 GGAPBE
- 43 RPBEPBE
- 10 RPBE1PBE
- 4 RM052X
- 2 RHF
- 1 RDSDPBEP86-FC
- 1 RrevTPSSrevTPSS
- 1 RwB97XD