FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2108283258> ?p ?o ?g. }

• W2108283258 endingPage "426" @default.
• W2108283258 startingPage "415" @default.
• W2108283258 abstract "In this article, a polarizable dipole–dipole interaction model is established to estimate the equilibrium hydrogen bond distances and the interaction energies for hydrogen-bonded complexes containing peptide amides and nucleic acid bases. We regard the chemical bonds NH, CO, and CH as bond dipoles. The magnitude of the bond dipole moment varies according to its environment. We apply this polarizable dipole–dipole interaction model to a series of hydrogen-bonded complexes containing the NH···OC and CH···OC hydrogen bonds, such as simple amide-amide dimers, base-base dimers, peptide-base dimers, and β-sheet models. We find that a simple two-term function, only containing the permanent dipole–dipole interactions and the van der Waals interactions, can produce the equilibrium hydrogen bond distances compared favorably with those produced by the MP2/6-31G(d) method, whereas the high-quality counterpoise-corrected (CP-corrected) MP2/aug-cc-pVTZ interaction energies for the hydrogen-bonded complexes can be well-reproduced by a four-term function which involves the permanent dipole–dipole interactions, the van der Waals interactions, the polarization contributions, and a corrected term. Based on the calculation results obtained from this polarizable dipole–dipole interaction model, the natures of the hydrogen bonding interactions in these hydrogen-bonded complexes are further discussed. © 2013 Wiley Periodicals, Inc." @default.
• W2108283258 created "2016-06-24" @default.
• W2108283258 creator A5003317644 @default.
• W2108283258 creator A5024267315 @default.
• W2108283258 creator A5040710657 @default.
• W2108283258 creator A5069881238 @default.
• W2108283258 date "2013-10-30" @default.
• W2108283258 modified "2023-09-26" @default.
• W2108283258 title "A polarizable dipole-dipole interaction model for evaluation of the interaction energies for NH···OC and CH···OC hydrogen-bonded complexes" @default.
• W2108283258 cites W1965811568 @default.
• W2108283258 cites W1967737979 @default.
• W2108283258 cites W1969734888 @default.
• W2108283258 cites W1971803965 @default.
• W2108283258 cites W1973897761 @default.
• W2108283258 cites W1981346896 @default.
• W2108283258 cites W1984249760 @default.
• W2108283258 cites W1984599229 @default.
• W2108283258 cites W1990662996 @default.
• W2108283258 cites W1993383767 @default.
• W2108283258 cites W1994372519 @default.
• W2108283258 cites W1995818918 @default.
• W2108283258 cites W2002194503 @default.
• W2108283258 cites W2003608108 @default.
• W2108283258 cites W2004137910 @default.
• W2108283258 cites W2005100866 @default.
• W2108283258 cites W2008382162 @default.
• W2108283258 cites W2011254772 @default.
• W2108283258 cites W2015431679 @default.
• W2108283258 cites W2015439644 @default.
• W2108283258 cites W2015757365 @default.
• W2108283258 cites W2016109975 @default.
• W2108283258 cites W2017125415 @default.
• W2108283258 cites W2017913163 @default.
• W2108283258 cites W2019562236 @default.
• W2108283258 cites W2020454301 @default.
• W2108283258 cites W2022889126 @default.
• W2108283258 cites W2026956882 @default.
• W2108283258 cites W2027408247 @default.
• W2108283258 cites W2029359892 @default.
• W2108283258 cites W2032204983 @default.
• W2108283258 cites W2034032176 @default.
• W2108283258 cites W2038135746 @default.
• W2108283258 cites W2038767330 @default.
• W2108283258 cites W2044493327 @default.
• W2108283258 cites W2044940178 @default.
• W2108283258 cites W2045056402 @default.
• W2108283258 cites W2051084040 @default.
• W2108283258 cites W2051107331 @default.
• W2108283258 cites W2051144234 @default.
• W2108283258 cites W2051381895 @default.
• W2108283258 cites W2053367812 @default.
• W2108283258 cites W2054881399 @default.
• W2108283258 cites W2058294591 @default.
• W2108283258 cites W2059131665 @default.
• W2108283258 cites W2059486640 @default.
• W2108283258 cites W2060705021 @default.
• W2108283258 cites W2061291218 @default.
• W2108283258 cites W2064142965 @default.
• W2108283258 cites W2064261221 @default.
• W2108283258 cites W2064762112 @default.
• W2108283258 cites W2065334832 @default.
• W2108283258 cites W2070091907 @default.
• W2108283258 cites W2070404697 @default.
• W2108283258 cites W2071121129 @default.
• W2108283258 cites W2071653791 @default.
• W2108283258 cites W2072102351 @default.
• W2108283258 cites W2073272057 @default.
• W2108283258 cites W2075657880 @default.
• W2108283258 cites W2076231220 @default.
• W2108283258 cites W2077501220 @default.
• W2108283258 cites W2079017121 @default.
• W2108283258 cites W2080222207 @default.
• W2108283258 cites W2083895330 @default.
• W2108283258 cites W2084619201 @default.
• W2108283258 cites W2084652423 @default.
• W2108283258 cites W2084866719 @default.
• W2108283258 cites W2085526989 @default.
• W2108283258 cites W2085966856 @default.
• W2108283258 cites W2086505034 @default.
• W2108283258 cites W2088070741 @default.
• W2108283258 cites W2092123207 @default.
• W2108283258 cites W2094395502 @default.
• W2108283258 cites W2098614082 @default.
• W2108283258 cites W2108653522 @default.
• W2108283258 cites W2122199548 @default.
• W2108283258 cites W2123690240 @default.
• W2108283258 cites W2131288855 @default.
• W2108283258 cites W2133992568 @default.
• W2108283258 cites W2140881150 @default.
• W2108283258 cites W2145470338 @default.
• W2108283258 cites W2156975940 @default.
• W2108283258 cites W2158955044 @default.
• W2108283258 cites W2163749653 @default.
• W2108283258 cites W2166749841 @default.
• W2108283258 cites W2312573666 @default.
• W2108283258 cites W2317272850 @default.
• W2108283258 cites W2317335979 @default.
• W2108283258 cites W2318552848 @default.

• next