quantum chemistry code (TURBOMOLE GmbH)
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TURBOMOLE GmbH
quantum chemistry code
Quantum Chemistry Code, supplied by TURBOMOLE GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/quantum+chemistry+code/quantum+chemistry+code/pm38749066-213-6-9
Average 90 stars, based on 1 article reviews
Quantum Chemistry Code, supplied by TURBOMOLE GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/quantum+chemistry+code/quantum+chemistry+code/pm38749066-213-6-9
Average 90 stars, based on 1 article reviews
quantum chemistry code - by Bioz Stars,
2026-09
90/100 stars
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Functional Assay:Article Title: Tip-Induced Inversion of the Chirality of a Molecule's Adsorption Potential Probed by the Switching Directionality. Article Snippet: .. Theoretical DFT calculations were performed using the Article Title: Toward Multiple Conductance Pathways with Heterocycle-Based Oligo(phenyleneethynylene) Derivatives. Article Snippet: In this paper we have systematically studied how the replacement of a benzene ring by a heterocyclic compound in oligo(phenyleneethynylene) (OPE) derivatives affects the conductance of a molecular wire using the scanning tunneling microscope-based break junction technique.. We describe for the first time that OPE derivatives with a central pyrimidine ring can efficiently link to the gold electrode by two pathways presenting two different conductance G values.. We have demonstrated that this effect is associated with the presence of two efficient conductive pathways of different length: the conventional end-to-end configuration, and another with the one of the electrodes linked directly to the central ring. Article Title: Mechanical compression in cofacial porphyrin cyclophane pincers Article Snippet: .. DFT calculations are performed with the Article Title: Electron Transport Through Homopeptides: Are They Really Good Conductors? Article Snippet: .. The DFT calculations were carried out using the Article Title: Doping hepta-alanine with tryptophan: A theoretical study of its effect on the electrical conductance of peptide-based single-molecule junctions. Article Snippet: Motivated by a recent experiment [C. Guo et al., Proc.. Natl.. Acad. Article Title: Fully Reprogrammable 2D Array of Multistate Molecular Switching Units. Article Snippet: Integration of molecular switching units into complex electronic circuits is considered to be the next step toward the realization of novel logic and memory devices.. This paper reports on an ordered 2D network of neighboring ternary switching units represented by triazatruxene (TAT) molecules organized in a honeycomb lattice on a Ag(111) surface.. Using low-temperature scanning tunneling microscopy, the bonding configurations of individual TAT molecules can be controlled, realizing up to 12 distinct states per molecule. Dispersion:Article Title: Mechanical compression in cofacial porphyrin cyclophane pincers Article Snippet: .. DFT calculations are performed with the |