Matches in SemOpenAlex for { <https://semopenalex.org/work/W2026675690> ?p ?o ?g. }
- W2026675690 endingPage "7640" @default.
- W2026675690 startingPage "7640" @default.
- W2026675690 abstract "The elongation method, proposed in the early 1990s, originally for theoretical synthesis of aperiodic polymers, has been reviewed. The details of derivation of the localization scheme adopted by the elongation method are described along with the elongation processes. The reliability and efficiency of the elongation method have been proven by applying it to various models of bio-systems, such as gramicidin A, collagen, DNA, etc. By means of orbital shift, the elongation method has been successfully applied to delocalized π-conjugated systems. The so-called orbital shift works in such a way that during the elongation process, some strongly delocalized frozen orbitals are assigned as active orbitals and joined with the interaction of the attacking monomer. By this treatment, it has been demonstrated that the total energies and non-linear optical properties determined by the elongation method are more accurate even for bio-systems and delocalized systems like fused porphyrin wires. The elongation method has been further developed for treating any three-dimensional (3D) systems and its applicability is confirmed by applying it to entangled insulin models whose terminal is capped by both neutral and zwitterionic sequences." @default.
- W2026675690 created "2016-06-24" @default.
- W2026675690 creator A5055040076 @default.
- W2026675690 creator A5079265106 @default.
- W2026675690 date "2012-01-01" @default.
- W2026675690 modified "2023-10-12" @default.
- W2026675690 title "An elongation method for large systems toward bio-systems" @default.
- W2026675690 cites W1488176310 @default.
- W2026675690 cites W1519200908 @default.
- W2026675690 cites W1658532712 @default.
- W2026675690 cites W1964357583 @default.
- W2026675690 cites W1965798822 @default.
- W2026675690 cites W1967901149 @default.
- W2026675690 cites W1967929263 @default.
- W2026675690 cites W1969776708 @default.
- W2026675690 cites W1970021537 @default.
- W2026675690 cites W1971599238 @default.
- W2026675690 cites W1971721916 @default.
- W2026675690 cites W1972252302 @default.
- W2026675690 cites W1973889696 @default.
- W2026675690 cites W1976935265 @default.
- W2026675690 cites W1977691562 @default.
- W2026675690 cites W1979459237 @default.
- W2026675690 cites W1981557776 @default.
- W2026675690 cites W1986801254 @default.
- W2026675690 cites W1987857643 @default.
- W2026675690 cites W1988166800 @default.
- W2026675690 cites W1990333762 @default.
- W2026675690 cites W1991290685 @default.
- W2026675690 cites W1992679397 @default.
- W2026675690 cites W1995970359 @default.
- W2026675690 cites W1996795674 @default.
- W2026675690 cites W1997401179 @default.
- W2026675690 cites W2002150668 @default.
- W2026675690 cites W2004997596 @default.
- W2026675690 cites W2005521525 @default.
- W2026675690 cites W2007053858 @default.
- W2026675690 cites W2009900866 @default.
- W2026675690 cites W2010170813 @default.
- W2026675690 cites W2010566580 @default.
- W2026675690 cites W2015829598 @default.
- W2026675690 cites W2016473610 @default.
- W2026675690 cites W2020428152 @default.
- W2026675690 cites W2021122837 @default.
- W2026675690 cites W2022950330 @default.
- W2026675690 cites W2024005700 @default.
- W2026675690 cites W2029576732 @default.
- W2026675690 cites W2031009436 @default.
- W2026675690 cites W2032411315 @default.
- W2026675690 cites W2033777196 @default.
- W2026675690 cites W2035824740 @default.
- W2026675690 cites W2037099400 @default.
- W2026675690 cites W2037768897 @default.
- W2026675690 cites W2040058482 @default.
- W2026675690 cites W2040847613 @default.
- W2026675690 cites W2042654958 @default.
- W2026675690 cites W2043420309 @default.
- W2026675690 cites W2043683273 @default.
- W2026675690 cites W2046750136 @default.
- W2026675690 cites W2051232700 @default.
- W2026675690 cites W2052312990 @default.
- W2026675690 cites W2056568620 @default.
- W2026675690 cites W2056968964 @default.
- W2026675690 cites W2059503133 @default.
- W2026675690 cites W2062395257 @default.
- W2026675690 cites W2063438648 @default.
- W2026675690 cites W2065476796 @default.
- W2026675690 cites W2070590254 @default.
- W2026675690 cites W2072031242 @default.
- W2026675690 cites W2072565812 @default.
- W2026675690 cites W2072951578 @default.
- W2026675690 cites W2073706693 @default.
- W2026675690 cites W2073773252 @default.
- W2026675690 cites W2076170761 @default.
- W2026675690 cites W2076656428 @default.
- W2026675690 cites W2077550038 @default.
- W2026675690 cites W2078358992 @default.
- W2026675690 cites W2083210092 @default.
- W2026675690 cites W2089363127 @default.
- W2026675690 cites W2089438911 @default.
- W2026675690 cites W2089733287 @default.
- W2026675690 cites W2090865552 @default.
- W2026675690 cites W2095148640 @default.
- W2026675690 cites W2095474273 @default.
- W2026675690 cites W2115525122 @default.
- W2026675690 cites W2116267801 @default.
- W2026675690 cites W2119649218 @default.
- W2026675690 cites W2144477733 @default.
- W2026675690 cites W2147303166 @default.
- W2026675690 cites W2169655552 @default.
- W2026675690 cites W4232909320 @default.
- W2026675690 cites W4240308756 @default.
- W2026675690 cites W95301518 @default.
- W2026675690 doi "https://doi.org/10.1039/c2cp24033e" @default.
- W2026675690 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/22563579" @default.
- W2026675690 hasPublicationYear "2012" @default.
- W2026675690 type Work @default.
- W2026675690 sameAs 2026675690 @default.