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An International Journal at the Interface Between Chemistry and Physics

Volume 50, 1983 - Issue 6

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Original Articles

Carbon-13 N.M.R. chemical shift and electronic structure of an infinite polymer chain as studied by tight-binding MO theory Polyethylene, and cis and trans polyacetylenes

Takeshi Yamanobe Department of Polymer Chemistry, Tokyo Institute of Technology, Ookayama, Meguro-ku, Tokyo, Japan

Riichirô Chûjô Department of Polymer Chemistry, Tokyo Institute of Technology, Ookayama, Meguro-ku, Tokyo, Japan

Isao Ando Department of Polymer Chemistry, Tokyo Institute of Technology, Ookayama, Meguro-ku, Tokyo, Japan

Pages 1231-1249 | Received 11 May 1983, Accepted 09 Jun 1983, Published online: 23 Aug 2006

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https://doi.org/10.1080/00268978300103001

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Takeshi Yamanobe, Masaki Kakiage, Ayaka Takazawa & Hiroki Uehara. 2022. 133 183 .

Takeshi Yamanobe, Hayata Takeda, Yoshihisa Takada, Daisuke Nagai, Masaru Yoneyama, Hiroki Uehara & Keiko Takahashi. (2018) Structure and physical properties of poly(lactic acid) and cyclodextrin composite. Journal of Inclusion Phenomena and Macrocyclic Chemistry 93:1-2, pages 117-126.
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Isao Ando. (2012) Some aspects of the NMR chemical shift/structure correlation in the structural characterization of polymers and biopolymers. Polymer Journal 44:8, pages 734-747.
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Takeshi Yamanobe & Hiromichi Kurosu. 2007. Encyclopedia of Magnetic Resonance. Encyclopedia of Magnetic Resonance.

Graham A. Webb. 2007. Encyclopedia of Magnetic Resonance. Encyclopedia of Magnetic Resonance.

Isao Ando. 2007. Encyclopedia of Magnetic Resonance. Encyclopedia of Magnetic Resonance.

Kazuma Fujii, Shigeki Kuroki, Masahito Uchida, Hiromichi Kurosu & Isao Ando. (2002) 13C NMR chemical shift and electronic structure of a three-dimensional polyacetylene crystal by ab initio tight binding MO theory. Journal of Molecular Structure 602-603, pages 3-8.
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Isao Ando, Shigeki Kuroki, Hiromichi Kurosu & Takeshi Yamanobe. (2001) NMR chemical shift calculations and structural characterizations of polymers. Progress in Nuclear Magnetic Resonance Spectroscopy 39:2, pages 79-133.
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Hiroyuki Kawashima & Toshimasa Takanohashi. (2001) Modification of Model Structures of Upper Freeport Coal Extracts Using 13 C NMR Chemical Shift Calculations . Energy & Fuels 15:3, pages 591-598.
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I. Ando, M. Kobayashi, M. Kanekiyo, S. Kuroki, S. Ando, S. Matsukawa, H. Kurosu, H. Yasunaga & S. Amiya. 2000. Experimental Methods in Polymer Science. Experimental Methods in Polymer Science 261 493 .

M. Uchida, Y. Toida, H. Kurosu & I. Ando. (1999) An MO study on 13 C NMR chemical shift and the electronic structure of a three-dimensional polymer crystal by ab initio tight-binding MO theory. Journal of Molecular Structure 508:1-3, pages 181-191.
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Hiromichi Kurosu. 1998. Solid State NMR of Polymers. Solid State NMR of Polymers 589 611 .

Takeshi Yamanobe & Hiromichi Kurosu. 1998. Solid State NMR of Polymers. Solid State NMR of Polymers 327 349 .

Isao Ando, Naoki Asakawa & Graham A. Webb. 1998. Solid State NMR of Polymers. Solid State NMR of Polymers 1 21 .

Masato Sone, Hiroaki Yoshimizu, Hiromichi Kurosu & Isao Ando. (1994) Side-chain conformation of poly(l-proline) form II in the crystalline state as studied by high-resolution solid-state 13C NMR spectroscopy. Journal of Molecular Structure 317:1-2, pages 111-118.
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Isao Ando. 1993. Computer Aided Innovation of New Materials II. Computer Aided Innovation of New Materials II 1391 1395 .

Mizuyo Kikuchi, Hiromichi Kurosu & Isao Ando. (1992) Structural characterization of polypyrrole in the solid state by high resolution 15N NMR spectroscopy combined with quantum chemistry. Journal of Molecular Structure 269:1-2, pages 183-195.
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Pawan K. Kahol, W. G. Clark & Michael Mehring. 1992. Conjugated Conducting Polymers. Conjugated Conducting Polymers 217 304 .

Hiromichi Kurosu & Iaao Ando. (1991) Interchain interaction of 13C NMR chemical shift and electronic structure of polypeptide chains in the solid state as studied by tight-binding MO theory: poly(l-alanine) with the right-handed and left-handed α-helix forms. Journal of Molecular Structure: THEOCHEM 231, pages 231-242.
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I. Ando, T. Yamanobe, H. Kurosu & G.A. Webb. 1990. Annual Reports on NMR Spectroscopy Volume 22. Annual Reports on NMR Spectroscopy Volume 22 205 248 .

Isao Ando, Takeshi Yamanobe & Tetsuo Asakura. (1990) Primary and secondary structures of synthetic polymer systems as studied by 13C N M R spectroscopy. Progress in Nuclear Magnetic Resonance Spectroscopy 22:4, pages 349-400.
Crossref

Takahiro Ishii, Hiromichi Kurosu, Takeshi Yamanobe & Isao Ando. (1988) Effect of interchain interactions on 13C nuclear magnetic resonance chemical shifts and electronic structures of polyacetylene in the solid state as studied by tight-binding molecular orbital theory. The Journal of Chemical Physics 89:12, pages 7315-7319.
Crossref

Hiromichi Kurosu, Takeshi Yamanobe & Isao Ando. (1988) Interchain effect of 13C nuclear magnetic resonance chemical shift and electronic structure of polyoxymethylene chains in the solid state. The Journal of Chemical Physics 89:8, pages 5216-5223.
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V.A. Lopyrev, G.F. Myachina, O.I. Shevaleyevskii & M.L. Khidekel. (1988) Polyacetylene. Review. Polymer Science U.S.S.R. 30:10, pages 2151-2173.
Crossref

Ryozo Kitamaru. 1988. Developments in Crystalline Polymers. Developments in Crystalline Polymers 177 232 .

Hiromichi Kurosu, Takeshi Yamanobe, Tadashi Komoto & Isao Ando. (1987) 13C NMR chemical shift and electronic structure of polyoxymethylene in the solid state. Chemical Physics 116:3, pages 391-398.
Crossref

Takeshi Yamanobe, Isao Ando & Graham A. Webb. (1987) 13C NMR Chemical shifts and electronic structure of cis and trans polycetylenes as studied by tight-binding theory within the INDO/S framework. Journal of Molecular Structure: THEOCHEM 151, pages 191-201.
Crossref

Takeshi Yamanobe, Tetsushi Sorita, Tadashi Komoto, Isao Ando & Hisaya Sato. (1985) 13C NMR chemical shift and crystal structure of paraffins and polyethylene as studied by solid state NMR. Journal of Molecular Structure 131:3-4, pages 267-275.
Crossref

Takeshi Yamanobe, Isao Ando, Hazime Saitô, Ryoko Tabeta, Akira Shoji & Takuo Ozaki. (1985) Carbon-13 NMR chemical shift and electronic structure of polypeptide as studied by tight-binding MO theory: poly (β-benzyl L-aspartate) with the right-handle α-helix and left-handed α-helix forms. Chemical Physics 99:2, pages 259-264.
Crossref

Takeshi Yamanobe, Tetsushi Sorita, Isao Ando & Hisaya Sato. (2003) 13 C NMR studies of the conformation of cyclic paraffins, n ‐paraffins and polyethylene in solution . Die Makromolekulare Chemie 186:10, pages 2071-2078.
Crossref

Takeshi Yamanobe & Isao Ando. (1985) 1 3C NMR chemical shift and electronic structure of an infinite polymer chain as studied by tight-binding theory within the CNDO/2 framework: Polyethylene and c i s and t r a n s polyacetylenes . The Journal of Chemical Physics 83:6, pages 3154-3160.
Crossref

Takeshi Yamanobe, Isao Ando, Hazime Saito, Ryoko Tabeta, Akira Shoji & Takuo Ozaki. (1985) Carbon-13 NMR Chemical Shift and Electronic Structure of Solid Polypeptides as Studied by Tight-binding MO Theory. Polyglycine and Poly(L-alanine). Bulletin of the Chemical Society of Japan 58:1, pages 23-29.
Crossref

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Carbon-13 N.M.R. chemical shift and electronic structure of an infinite polymer chain as studied by tight-binding MO theory Polyethylene, and cis and trans polyacetylenes

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Carbon-13 N.M.R. chemical shift and electronic structure of an infinite polymer chain as studied by tight-binding MO theory Polyethylene, and cis and trans polyacetylenes

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