caa a22 4500 465818811 CHVBK 20180323112130.0 cr unu---uuuuu 170327e19900101xx s 000 0 eng 10.1007/BF01112348 doi (NATIONALLICENCE)springer-10.1007/BF01112348 Isomorphic electron orbitals for vibronic flexibility in a cyclopropenyl radical molecular device [Elektronische Daten] [Akitomo Tachibana, Yoshihiro Asai, Shogo Ikeuchi, Shigeru Ishikawa, Tokio Yamabe] Summary: The vibronic character of this molecular device has been studied using isomorphic electron orbitals. The leading role of the softest vibrational mode for the electron transport process is stressed by the quantum mechanical treatment of the rearrangement operator. The theory was used to investigate the possible function of the soliton valve, which has been suggested as a switching tip. The electronic flexibility of the cyclopropenyl radical with respect to molecular vibrations, which is important for the function of the molecular device, is well characterized by the hardness and softness of the electron structure in terms of the orbital energy-occupation number correlation diagram. Springer-Verlag, 1990 Isomorphic orbital nationallicence Vibronic electron transport nationallicence Molecular device nationallicence Tachibana Akitomo Department of Hydrocarbon Chemistry, and Division of Molecular Engineering, Faculty of Engineering, Kyoto University, 606, Kyoto, Japan aut Asai Yoshihiro Department of Hydrocarbon Chemistry, and Division of Molecular Engineering, Faculty of Engineering, Kyoto University, 606, Kyoto, Japan aut Ikeuchi Shogo Department of Hydrocarbon Chemistry, and Division of Molecular Engineering, Faculty of Engineering, Kyoto University, 606, Kyoto, Japan aut Ishikawa Shigeru Department of Hydrocarbon Chemistry, and Division of Molecular Engineering, Faculty of Engineering, Kyoto University, 606, Kyoto, Japan aut Yamabe Tokio Department of Hydrocarbon Chemistry, and Division of Molecular Engineering, Faculty of Engineering, Kyoto University, 606, Kyoto, Japan aut Theoretica chimica acta Springer-Verlag 78/1(1990-01-01), 1-9 0040-5744 78:1<1 1990 78 214 https://doi.org/10.1007/BF01112348 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF01112348 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Tachibana Akitomo Department of Hydrocarbon Chemistry, and Division of Molecular Engineering, Faculty of Engineering, Kyoto University, 606, Kyoto, Japan aut NATIONALLICENCE 700 1- Asai Yoshihiro Department of Hydrocarbon Chemistry, and Division of Molecular Engineering, Faculty of Engineering, Kyoto University, 606, Kyoto, Japan aut NATIONALLICENCE 700 1- Ikeuchi Shogo Department of Hydrocarbon Chemistry, and Division of Molecular Engineering, Faculty of Engineering, Kyoto University, 606, Kyoto, Japan aut NATIONALLICENCE 700 1- Ishikawa Shigeru Department of Hydrocarbon Chemistry, and Division of Molecular Engineering, Faculty of Engineering, Kyoto University, 606, Kyoto, Japan aut NATIONALLICENCE 700 1- Yamabe Tokio Department of Hydrocarbon Chemistry, and Division of Molecular Engineering, Faculty of Engineering, Kyoto University, 606, Kyoto, Japan aut NATIONALLICENCE 773 0- Theoretica chimica acta Springer-Verlag 78/1(1990-01-01), 1-9 0040-5744 78:1<1 1990 78 214 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer