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C&EN11d
Investigation of the Transition Voltage Spectra of Molecular Junctions Considering Frontier Molecular Orbitals and the Asymmetric Coupling Effect
† School of Materials Science and Engineering and ‡ WCU Department of Nanobio Materials and Electronics, Gwangju Institute of Science and Technology, Gwangju 500-712, Korea Korea Institute of Science ...
C&EN16d
Molecular Gold Nanoclusters for Advanced NIR-II Bioimaging and Therapy
Materials Innovation Institute for Life Science and Energy (MILES), HKU-SIRI, Shenzhen 518000, P. R. China Department of Mechanical Engineering, The University of Hong Kong, Hong Kong 999077, P. R.
Scientific Research Publishing16d
Calzaferri, G., Forss, L. and Kamber, I. (1989) Molecular Geometries by the Extended Hueckel Molecular Orbital (EHMO) Method. The Journal of Physical Chemistry, 93, 5366-5371.
ABSTRACT: Recently, we have studied electronic structure of platinum dihalides (Pt(II)X2). Here, atomic orbital and molecular orbital analysis along with spectroscopic studies have been made to see ...
the-decoder29d
Meta introduces OMol25 and UMA, new open AI tools for molecular research
OMol25 contains data from over 100 million high-precision molecular calculations—far surpassing the ... the dataset includes extra details like charge distributions, orbitals, and other chemical ...