Matches in SemOpenAlex for { <https://semopenalex.org/work/W2048184466> ?p ?o ?g. }
- W2048184466 endingPage "1003" @default.
- W2048184466 startingPage "995" @default.
- W2048184466 abstract "A theoretical study of double-proton-transfer processes in bimolecular complexes formed by combinations of molecules of the type CHX−XH (X = O, S) is reported. The reactions are rationalized in terms of the energy, chemical potential, and hardness of hydrogen-bonded and isolated species. Sanderson's rule to determine molecular chemical potential and hardness from the values of the constituent fragments is used to characterize the relaxation effects due to hydrogen bonding. In ten formation and seven double-proton transfer processes studied here, the principles of maximum hardness and minimum polarizability are verified. The mechanism for double proton transfer has been analyzed through the force acting on the system to bring reactants into products and the corresponding energy barriers have been qualitatively classified according to its through bond or through space nature." @default.
- W2048184466 created "2016-06-24" @default.
- W2048184466 creator A5010120357 @default.
- W2048184466 creator A5082528498 @default.
- W2048184466 date "2000-01-19" @default.
- W2048184466 modified "2023-10-18" @default.
- W2048184466 title "Theoretical Study of the Double Proton Transfer in the CHX−XH···CHX−XH (X = O, S) Complexes" @default.
- W2048184466 cites W1963688013 @default.
- W2048184466 cites W1966325142 @default.
- W2048184466 cites W1970903760 @default.
- W2048184466 cites W1972112990 @default.
- W2048184466 cites W1973581048 @default.
- W2048184466 cites W1973785539 @default.
- W2048184466 cites W1976521756 @default.
- W2048184466 cites W1977865698 @default.
- W2048184466 cites W1982356449 @default.
- W2048184466 cites W1986429452 @default.
- W2048184466 cites W1986707691 @default.
- W2048184466 cites W1986811163 @default.
- W2048184466 cites W1989022538 @default.
- W2048184466 cites W1996387433 @default.
- W2048184466 cites W1997509650 @default.
- W2048184466 cites W2001853928 @default.
- W2048184466 cites W2008669348 @default.
- W2048184466 cites W2008708918 @default.
- W2048184466 cites W2009955424 @default.
- W2048184466 cites W2014936180 @default.
- W2048184466 cites W2015173770 @default.
- W2048184466 cites W2018917728 @default.
- W2048184466 cites W2021994209 @default.
- W2048184466 cites W2023724972 @default.
- W2048184466 cites W2028781077 @default.
- W2048184466 cites W2033248038 @default.
- W2048184466 cites W2033428136 @default.
- W2048184466 cites W2036503595 @default.
- W2048184466 cites W2038168985 @default.
- W2048184466 cites W2045681797 @default.
- W2048184466 cites W2048754798 @default.
- W2048184466 cites W2054376998 @default.
- W2048184466 cites W2060861092 @default.
- W2048184466 cites W2063271800 @default.
- W2048184466 cites W2063815699 @default.
- W2048184466 cites W2069040311 @default.
- W2048184466 cites W2071080755 @default.
- W2048184466 cites W2071536997 @default.
- W2048184466 cites W2072922607 @default.
- W2048184466 cites W2079424193 @default.
- W2048184466 cites W2080172672 @default.
- W2048184466 cites W2081597435 @default.
- W2048184466 cites W2084505539 @default.
- W2048184466 cites W2090261256 @default.
- W2048184466 cites W2091237955 @default.
- W2048184466 cites W2092037409 @default.
- W2048184466 cites W2105513278 @default.
- W2048184466 cites W2123969193 @default.
- W2048184466 cites W2141839390 @default.
- W2048184466 cites W2148249851 @default.
- W2048184466 cites W2157088023 @default.
- W2048184466 cites W2503005323 @default.
- W2048184466 cites W389265583 @default.
- W2048184466 cites W4229777913 @default.
- W2048184466 cites W4300611374 @default.
- W2048184466 cites W4300816443 @default.
- W2048184466 doi "https://doi.org/10.1021/jp993016o" @default.
- W2048184466 hasPublicationYear "2000" @default.
- W2048184466 type Work @default.
- W2048184466 sameAs 2048184466 @default.
- W2048184466 citedByCount "116" @default.
- W2048184466 countsByYear W20481844662012 @default.
- W2048184466 countsByYear W20481844662013 @default.
- W2048184466 countsByYear W20481844662014 @default.
- W2048184466 countsByYear W20481844662015 @default.
- W2048184466 countsByYear W20481844662016 @default.
- W2048184466 countsByYear W20481844662017 @default.
- W2048184466 countsByYear W20481844662018 @default.
- W2048184466 countsByYear W20481844662019 @default.
- W2048184466 countsByYear W20481844662020 @default.
- W2048184466 countsByYear W20481844662021 @default.
- W2048184466 countsByYear W20481844662022 @default.
- W2048184466 countsByYear W20481844662023 @default.
- W2048184466 crossrefType "journal-article" @default.
- W2048184466 hasAuthorship W2048184466A5010120357 @default.
- W2048184466 hasAuthorship W2048184466A5082528498 @default.
- W2048184466 hasConcept C112887158 @default.
- W2048184466 hasConcept C121332964 @default.
- W2048184466 hasConcept C139287275 @default.
- W2048184466 hasConcept C147597530 @default.
- W2048184466 hasConcept C147789679 @default.
- W2048184466 hasConcept C15744967 @default.
- W2048184466 hasConcept C178790620 @default.
- W2048184466 hasConcept C185592680 @default.
- W2048184466 hasConcept C2776029896 @default.
- W2048184466 hasConcept C32909587 @default.
- W2048184466 hasConcept C54516573 @default.
- W2048184466 hasConcept C62520636 @default.
- W2048184466 hasConcept C68381374 @default.
- W2048184466 hasConcept C77805123 @default.
- W2048184466 hasConceptScore W2048184466C112887158 @default.