Matches in SemOpenAlex for { <https://semopenalex.org/work/W2322756239> ?p ?o ?g. }
- W2322756239 endingPage "1151" @default.
- W2322756239 startingPage "1143" @default.
- W2322756239 abstract "In this work, for the first time, an analytical four-dimensional representation for the intermolecular potential of the N2−CO dimer is constructed from ab initio calculations. The most stable structure of dimer is found to be a distorted T-shape conformation with CO forming the top and N2 the leg of T. Important structures of the dimer are characterized, and surprisingly, it is found that in contrast with general assumptions, the potential energy surface of the N2−CO dimer has a single symmetry unique minimum. The energy profile of a minimum energy path that connects two T-shaped saddle points to the minimum structure is derived. Important structures are characterized along this path to represent the concerted internal rotation of monomers within the complex. The second virial coefficient is calculated from the fitted PES, and reasonable agreement is found with recent experimental results." @default.
- W2322756239 created "2016-06-24" @default.
- W2322756239 creator A5016121180 @default.
- W2322756239 creator A5021181361 @default.
- W2322756239 creator A5071649205 @default.
- W2322756239 date "2011-01-25" @default.
- W2322756239 modified "2023-09-27" @default.
- W2322756239 title "Intermolecular Potential Energy Surface of the N2−CO Dimer: Ab Initio Investigation and Analytical Representation" @default.
- W2322756239 cites W1547998887 @default.
- W2322756239 cites W1578971371 @default.
- W2322756239 cites W1612505195 @default.
- W2322756239 cites W1963573120 @default.
- W2322756239 cites W1978437416 @default.
- W2322756239 cites W1983226043 @default.
- W2322756239 cites W1984139317 @default.
- W2322756239 cites W1987421744 @default.
- W2322756239 cites W1987596097 @default.
- W2322756239 cites W1992759909 @default.
- W2322756239 cites W1993077801 @default.
- W2322756239 cites W1994144687 @default.
- W2322756239 cites W1998511201 @default.
- W2322756239 cites W2002026352 @default.
- W2322756239 cites W2004962720 @default.
- W2322756239 cites W2012651543 @default.
- W2322756239 cites W2022098822 @default.
- W2322756239 cites W2022950330 @default.
- W2322756239 cites W2025481553 @default.
- W2322756239 cites W2038252768 @default.
- W2322756239 cites W2044940178 @default.
- W2322756239 cites W2046002177 @default.
- W2322756239 cites W2046257574 @default.
- W2322756239 cites W2054681903 @default.
- W2322756239 cites W2057102968 @default.
- W2322756239 cites W2058144624 @default.
- W2322756239 cites W2059518200 @default.
- W2322756239 cites W2061291218 @default.
- W2322756239 cites W2064033313 @default.
- W2322756239 cites W2069006374 @default.
- W2322756239 cites W2077817357 @default.
- W2322756239 cites W2084494308 @default.
- W2322756239 cites W2085964482 @default.
- W2322756239 cites W2089503795 @default.
- W2322756239 cites W2092930273 @default.
- W2322756239 cites W2119977744 @default.
- W2322756239 cites W2124403696 @default.
- W2322756239 cites W2136306297 @default.
- W2322756239 cites W2142658442 @default.
- W2322756239 cites W2147950300 @default.
- W2322756239 cites W2148941593 @default.
- W2322756239 cites W2168471592 @default.
- W2322756239 cites W2617989483 @default.
- W2322756239 cites W2950692345 @default.
- W2322756239 doi "https://doi.org/10.1021/jp111279t" @default.
- W2322756239 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21261316" @default.
- W2322756239 hasPublicationYear "2011" @default.
- W2322756239 type Work @default.
- W2322756239 sameAs 2322756239 @default.
- W2322756239 citedByCount "8" @default.
- W2322756239 countsByYear W23227562392013 @default.
- W2322756239 countsByYear W23227562392015 @default.
- W2322756239 countsByYear W23227562392018 @default.
- W2322756239 countsByYear W23227562392019 @default.
- W2322756239 countsByYear W23227562392021 @default.
- W2322756239 crossrefType "journal-article" @default.
- W2322756239 hasAuthorship W2322756239A5016121180 @default.
- W2322756239 hasAuthorship W2322756239A5021181361 @default.
- W2322756239 hasAuthorship W2322756239A5071649205 @default.
- W2322756239 hasConcept C121332964 @default.
- W2322756239 hasConcept C125277925 @default.
- W2322756239 hasConcept C147597530 @default.
- W2322756239 hasConcept C159467904 @default.
- W2322756239 hasConcept C166950319 @default.
- W2322756239 hasConcept C178790620 @default.
- W2322756239 hasConcept C183971685 @default.
- W2322756239 hasConcept C184779094 @default.
- W2322756239 hasConcept C185592680 @default.
- W2322756239 hasConcept C2524010 @default.
- W2322756239 hasConcept C2681867 @default.
- W2322756239 hasConcept C2779546866 @default.
- W2322756239 hasConcept C2779886137 @default.
- W2322756239 hasConcept C2781442258 @default.
- W2322756239 hasConcept C32909587 @default.
- W2322756239 hasConcept C33923547 @default.
- W2322756239 hasConcept C41999313 @default.
- W2322756239 hasConcept C84551667 @default.
- W2322756239 hasConcept C93218973 @default.
- W2322756239 hasConcept C97355855 @default.
- W2322756239 hasConceptScore W2322756239C121332964 @default.
- W2322756239 hasConceptScore W2322756239C125277925 @default.
- W2322756239 hasConceptScore W2322756239C147597530 @default.
- W2322756239 hasConceptScore W2322756239C159467904 @default.
- W2322756239 hasConceptScore W2322756239C166950319 @default.
- W2322756239 hasConceptScore W2322756239C178790620 @default.
- W2322756239 hasConceptScore W2322756239C183971685 @default.
- W2322756239 hasConceptScore W2322756239C184779094 @default.
- W2322756239 hasConceptScore W2322756239C185592680 @default.
- W2322756239 hasConceptScore W2322756239C2524010 @default.
- W2322756239 hasConceptScore W2322756239C2681867 @default.