ioChem-BD Browse module - community page

(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

Molecules for the paper titled "Chemistry of the Au–Thiol Interface through the Lens of Single-Molecule Flicker Noise Measurements"

This dataset derived results are published in:

Manuscript title: Chemistry of the Au–Thiol Interface through the Lens of Single-Molecule Flicker Noise Measurements

Journal: J. Am. Chem. Soc.

DOI: 10.1021/jacs.3c14079

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

Molecules for the paper titled "A Molecular Engineering Approach to Conformationally Regulated Conductance Dualism in a Molecular Junction"

This dataset derived results are published in:

Manuscript title: A Molecular Engineering Approach to Conformationally Regulated Conductance Dualism in a Molecular Junction

Journal: Angew. Chem. Int. Ed.

DOI: 10.1002/anie.202417796

cumulenes

No other publication derived

current_density_mo

Molecules for "Understanding Current Density In Molecules Using Molecular Orbitals"

This dataset derived results are published in:

Manuscript title: Understanding Current Density in Molecules Using Molecular Orbitals

Journal: J. Phys. Chem. A

DOI: 10.1021/acs.jpca.3c04631

ELM-Forces

No other publication derived

heat_insulator DOI: 10.19061/iochem-bd-9-6

Molecules for the paper "Heavy Solution for Molecular Thermal Management: Phonon Transport Suppression with Heavy Atoms"

This dataset derived results are published in:

Manuscript title: Heavy Solution for Molecular Thermal Management: Phonon Transport Suppression with Heavy Atoms

DOI: 10.1021/acsphyschemau.4c00084

MCsrPDFT-NonKekule DOI: 10.19061/iochem-bd-9-16

No other publication derived

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

Molecules and trajectories for the paper titled "Bridging the Gap: Using Machine Learning Force Fields to Simulate Gold Break Junctions at Pulling Speeds Closer to Experiments"

This dataset derived results are published in:

Manuscript title: Bridging the Gap: Using Machine Learning Force Fields to Simulate Gold Break Junctions at Pulling Speeds Closer to Experiments

DOI: 10.1021/acsnano.5c11887

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

DOI: 10.1021/acs.jpca.1c05799

SMeDACOPV

No other publication derived

Ultra-Thin-Highly-Insulating-NHCs DOI: 10.19061/iochem-bd-9-12

No other publication derived