Matches in SemOpenAlex for { <https://semopenalex.org/work/W1678696964> ?p ?o ?g. }
- W1678696964 abstract "We use ab initio electronic structure methods to calculate the many-body decomposition of the binding energies of the OH⋅(H2O)n (n=2,3) complexes. We employ MP2 and CCSD(T) levels of theory with aug-cc-pVDZ and aug-cc-pVTZ basis sets and analyze the significance of the nonpairwise interactions between OH radical and the surrounding water molecules. We also evaluate the accuracy of our newly developed potential function, the modified Thole-type model, for predicting the many-body terms in these complexes. Our analysis of the many-body contributions to the OH⋅(H2O)n binding energies clearly shows that they are just as important in the OH interactions with water as they are for interactions in pure water systems." @default.
- W1678696964 created "2016-06-24" @default.
- W1678696964 creator A5029553936 @default.
- W1678696964 creator A5033358248 @default.
- W1678696964 creator A5063895265 @default.
- W1678696964 creator A5083368750 @default.
- W1678696964 date "2008-02-27" @default.
- W1678696964 modified "2023-09-27" @default.
- W1678696964 title "Many-body decomposition of the binding energies for OH⋅(H2O)2 and OH⋅(H2O)3 complexes" @default.
- W1678696964 cites W1507310544 @default.
- W1678696964 cites W1965530097 @default.
- W1678696964 cites W1965768882 @default.
- W1678696964 cites W1968169141 @default.
- W1678696964 cites W1972865897 @default.
- W1678696964 cites W1974807241 @default.
- W1678696964 cites W1977484831 @default.
- W1678696964 cites W1983093599 @default.
- W1678696964 cites W1985108437 @default.
- W1678696964 cites W1986350436 @default.
- W1678696964 cites W1986767435 @default.
- W1678696964 cites W1988338043 @default.
- W1678696964 cites W1991090501 @default.
- W1678696964 cites W1991588548 @default.
- W1678696964 cites W1992235100 @default.
- W1678696964 cites W1993077801 @default.
- W1678696964 cites W1993404718 @default.
- W1678696964 cites W1996649201 @default.
- W1678696964 cites W1999000706 @default.
- W1678696964 cites W1999028677 @default.
- W1678696964 cites W2002378368 @default.
- W1678696964 cites W2002497423 @default.
- W1678696964 cites W2003076908 @default.
- W1678696964 cites W2006887613 @default.
- W1678696964 cites W2009541259 @default.
- W1678696964 cites W2011994396 @default.
- W1678696964 cites W2013425907 @default.
- W1678696964 cites W2013759686 @default.
- W1678696964 cites W2016293913 @default.
- W1678696964 cites W2016757806 @default.
- W1678696964 cites W2016861654 @default.
- W1678696964 cites W2018338925 @default.
- W1678696964 cites W2020124883 @default.
- W1678696964 cites W2023265554 @default.
- W1678696964 cites W2024497865 @default.
- W1678696964 cites W2024883558 @default.
- W1678696964 cites W2027814028 @default.
- W1678696964 cites W2029610217 @default.
- W1678696964 cites W2029729798 @default.
- W1678696964 cites W2029778513 @default.
- W1678696964 cites W2033614107 @default.
- W1678696964 cites W2034815131 @default.
- W1678696964 cites W2035707536 @default.
- W1678696964 cites W2038649619 @default.
- W1678696964 cites W2043005047 @default.
- W1678696964 cites W2044940178 @default.
- W1678696964 cites W2045666262 @default.
- W1678696964 cites W2047764434 @default.
- W1678696964 cites W2048214927 @default.
- W1678696964 cites W2051209468 @default.
- W1678696964 cites W2054034337 @default.
- W1678696964 cites W2054614843 @default.
- W1678696964 cites W2056551928 @default.
- W1678696964 cites W2057119195 @default.
- W1678696964 cites W2058834481 @default.
- W1678696964 cites W2064033756 @default.
- W1678696964 cites W2064484346 @default.
- W1678696964 cites W2065032647 @default.
- W1678696964 cites W2067920454 @default.
- W1678696964 cites W2068304618 @default.
- W1678696964 cites W2069006374 @default.
- W1678696964 cites W2069326762 @default.
- W1678696964 cites W2072482990 @default.
- W1678696964 cites W2073401069 @default.
- W1678696964 cites W2073861954 @default.
- W1678696964 cites W2074398522 @default.
- W1678696964 cites W2074778154 @default.
- W1678696964 cites W2075393824 @default.
- W1678696964 cites W2080143780 @default.
- W1678696964 cites W2081555175 @default.
- W1678696964 cites W2083913268 @default.
- W1678696964 cites W2084921800 @default.
- W1678696964 cites W2085132470 @default.
- W1678696964 cites W2086146215 @default.
- W1678696964 cites W2086761620 @default.
- W1678696964 cites W2088242577 @default.
- W1678696964 cites W2090360531 @default.
- W1678696964 cites W2091915396 @default.
- W1678696964 cites W2103462068 @default.
- W1678696964 cites W2104058071 @default.
- W1678696964 cites W2105176602 @default.
- W1678696964 cites W2110988908 @default.
- W1678696964 cites W2124787419 @default.
- W1678696964 cites W2126107133 @default.
- W1678696964 cites W2137373186 @default.
- W1678696964 cites W2148941593 @default.
- W1678696964 cites W2165987614 @default.
- W1678696964 cites W2274034199 @default.
- W1678696964 cites W2949706353 @default.
- W1678696964 cites W2950692345 @default.
- W1678696964 cites W2951429737 @default.