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- W2010202352 endingPage "1240" @default.
- W2010202352 startingPage "1230" @default.
- W2010202352 abstract "In order to investigate static quantum isotope effects on the stability of proton-transferred structures, we defined an effective quantal potential energy hypersurface (EQPES), which includes mass-dependent quantum effects. We demonstrated the difference between the ordinary potential energy surface and EQPES of the double well potential as a simple example. The minimum energy path on EQPES describes the zero-point energy-corrected structures and tunneling motion, which is characterized as a classically forbidden motion. We also performed the EQPES analysis of model proton-transfer reactions in DNA base pairs. It was found that the double proton-transferred structure of an adenine–thymine (AT) pair is quantum mechanically unstable and that of a guanine–cytosine (GC) pair is stable within a least uncertainty regime. In order to investigate dynamic quantum isotope effects on the stability of the proton-transferred structures, we performed quantal cumulant dynamics (QCD) simulations of the GC pair. Results show that the proton-transferred structure of the protonated isotopomer is dynamically unstable though the EQPES analysis predicts its stability. It is relevant to include dynamic effects in the investigation of the quantum isotope effects on geometric stability of systems with a small energy gap between global and metastable structures." @default.
- W2010202352 created "2016-06-24" @default.
- W2010202352 creator A5001697845 @default.
- W2010202352 creator A5048994262 @default.
- W2010202352 creator A5063604930 @default.
- W2010202352 creator A5083495533 @default.
- W2010202352 date "2008-10-15" @default.
- W2010202352 modified "2023-10-03" @default.
- W2010202352 title "Dynamic Quantum Isotope Effects on Multiple Proton-Transfer Reactions" @default.
- W2010202352 cites W1543866141 @default.
- W2010202352 cites W1966048890 @default.
- W2010202352 cites W1966053928 @default.
- W2010202352 cites W1966662156 @default.
- W2010202352 cites W1970089164 @default.
- W2010202352 cites W1970672281 @default.
- W2010202352 cites W1972003951 @default.
- W2010202352 cites W1974419742 @default.
- W2010202352 cites W1976077362 @default.
- W2010202352 cites W1976132972 @default.
- W2010202352 cites W1977063014 @default.
- W2010202352 cites W1977442594 @default.
- W2010202352 cites W1977880014 @default.
- W2010202352 cites W1980656446 @default.
- W2010202352 cites W1980735089 @default.
- W2010202352 cites W1981895320 @default.
- W2010202352 cites W1985922074 @default.
- W2010202352 cites W1986958025 @default.
- W2010202352 cites W1989143329 @default.
- W2010202352 cites W1992648496 @default.
- W2010202352 cites W1994753374 @default.
- W2010202352 cites W2004375305 @default.
- W2010202352 cites W2006997948 @default.
- W2010202352 cites W2009958057 @default.
- W2010202352 cites W2014437371 @default.
- W2010202352 cites W2015287199 @default.
- W2010202352 cites W2016936576 @default.
- W2010202352 cites W2019946007 @default.
- W2010202352 cites W2023121923 @default.
- W2010202352 cites W2029333374 @default.
- W2010202352 cites W2029500406 @default.
- W2010202352 cites W2029788063 @default.
- W2010202352 cites W2036257554 @default.
- W2010202352 cites W2036269087 @default.
- W2010202352 cites W2037109334 @default.
- W2010202352 cites W2038299647 @default.
- W2010202352 cites W2039569244 @default.
- W2010202352 cites W2039891954 @default.
- W2010202352 cites W2042161256 @default.
- W2010202352 cites W2044719153 @default.
- W2010202352 cites W2045874874 @default.
- W2010202352 cites W2046489116 @default.
- W2010202352 cites W2050196626 @default.
- W2010202352 cites W2054230585 @default.
- W2010202352 cites W2055266229 @default.
- W2010202352 cites W2058443382 @default.
- W2010202352 cites W2058678391 @default.
- W2010202352 cites W2058843742 @default.
- W2010202352 cites W2059104184 @default.
- W2010202352 cites W2062829500 @default.
- W2010202352 cites W2065215397 @default.
- W2010202352 cites W2067051922 @default.
- W2010202352 cites W2068325497 @default.
- W2010202352 cites W2068932407 @default.
- W2010202352 cites W2069834288 @default.
- W2010202352 cites W2069924988 @default.
- W2010202352 cites W2070062543 @default.
- W2010202352 cites W2070477714 @default.
- W2010202352 cites W2071965101 @default.
- W2010202352 cites W2072476529 @default.
- W2010202352 cites W2072718957 @default.
- W2010202352 cites W2072760166 @default.
- W2010202352 cites W2072786399 @default.
- W2010202352 cites W2074384991 @default.
- W2010202352 cites W2078223912 @default.
- W2010202352 cites W2079447595 @default.
- W2010202352 cites W2080084984 @default.
- W2010202352 cites W2081256846 @default.
- W2010202352 cites W2082867545 @default.
- W2010202352 cites W2083604570 @default.
- W2010202352 cites W2085351242 @default.
- W2010202352 cites W2085653418 @default.
- W2010202352 cites W2086806202 @default.
- W2010202352 cites W2087108944 @default.
- W2010202352 cites W2092181934 @default.
- W2010202352 cites W2106196227 @default.
- W2010202352 cites W2115006655 @default.
- W2010202352 cites W2133941043 @default.
- W2010202352 cites W2145741098 @default.
- W2010202352 cites W2154144173 @default.
- W2010202352 cites W2156332739 @default.
- W2010202352 cites W2163813035 @default.
- W2010202352 cites W2169925656 @default.
- W2010202352 cites W2171893485 @default.
- W2010202352 cites W2297346025 @default.
- W2010202352 cites W2517504132 @default.
- W2010202352 cites W3165898261 @default.
- W2010202352 cites W4117509 @default.
- W2010202352 cites W4248089275 @default.