FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2324563136> ?p ?o ?g. }

• W2324563136 endingPage "1492" @default.
• W2324563136 startingPage "1486" @default.
• W2324563136 abstract "Using the multireference configuration interaction method with a Davidson correction and a large orbital basis set (aug-cc-pVQZ), we obtain an energy grid that includes 32 038 points for the construction of a new analytical potential energy surface (APES) for the Ne + H2+ → NeH+ + H reaction. The APES is represented as a many-body expansion containing 142 parameters, which are fitted from 31 000 ab initio energies using an adaptive nonlinear least-squares algorithm. The geometric characteristics of the reported APES and the one presented here are also compared. On the basis of the APES we obtained, reaction cross sections are computed by means of quasi-classical trajectory (QCT) calculations and compared with the experimental and theoretical data in the literature." @default.
• W2324563136 created "2016-06-24" @default.
• W2324563136 creator A5052118228 @default.
• W2324563136 creator A5052344645 @default.
• W2324563136 creator A5083167888 @default.
• W2324563136 creator A5087970810 @default.
• W2324563136 creator A5091123304 @default.
• W2324563136 date "2011-02-15" @default.
• W2324563136 modified "2023-09-24" @default.
• W2324563136 title "Quasi-classical Trajectory Study of the Ne + H₂⁺ → NeH⁺ + H Reaction Based on Global Potential Energy Surface" @default.
• W2324563136 cites W1638677697 @default.
• W2324563136 cites W1669351669 @default.
• W2324563136 cites W1963712150 @default.
• W2324563136 cites W1973761188 @default.
• W2324563136 cites W1986664043 @default.
• W2324563136 cites W1990697135 @default.
• W2324563136 cites W1992518198 @default.
• W2324563136 cites W1993077801 @default.
• W2324563136 cites W2000044101 @default.
• W2324563136 cites W2001783747 @default.
• W2324563136 cites W2003320348 @default.
• W2324563136 cites W2015255624 @default.
• W2324563136 cites W202495620 @default.
• W2324563136 cites W2029765953 @default.
• W2324563136 cites W2032436962 @default.
• W2324563136 cites W2033447674 @default.
• W2324563136 cites W2042535000 @default.
• W2324563136 cites W2043281795 @default.
• W2324563136 cites W2051624733 @default.
• W2324563136 cites W2059167945 @default.
• W2324563136 cites W2060983496 @default.
• W2324563136 cites W2063306829 @default.
• W2324563136 cites W2069006374 @default.
• W2324563136 cites W2073100963 @default.
• W2324563136 cites W2081006558 @default.
• W2324563136 cites W2087314971 @default.
• W2324563136 cites W2089228689 @default.
• W2324563136 cites W2093213821 @default.
• W2324563136 cites W2149663488 @default.
• W2324563136 cites W2153385814 @default.
• W2324563136 cites W2315250210 @default.
• W2324563136 cites W2419590836 @default.
• W2324563136 doi "https://doi.org/10.1021/jp108922c" @default.
• W2324563136 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21322539" @default.
• W2324563136 hasPublicationYear "2011" @default.
• W2324563136 type Work @default.
• W2324563136 sameAs 2324563136 @default.
• W2324563136 citedByCount "17" @default.
• W2324563136 countsByYear W23245631362012 @default.
• W2324563136 countsByYear W23245631362013 @default.
• W2324563136 countsByYear W23245631362014 @default.
• W2324563136 countsByYear W23245631362015 @default.
• W2324563136 countsByYear W23245631362016 @default.
• W2324563136 countsByYear W23245631362017 @default.
• W2324563136 countsByYear W23245631362018 @default.
• W2324563136 countsByYear W23245631362021 @default.
• W2324563136 crossrefType "journal-article" @default.
• W2324563136 hasAuthorship W2324563136A5052118228 @default.
• W2324563136 hasAuthorship W2324563136A5052344645 @default.
• W2324563136 hasAuthorship W2324563136A5083167888 @default.
• W2324563136 hasAuthorship W2324563136A5087970810 @default.
• W2324563136 hasAuthorship W2324563136A5091123304 @default.
• W2324563136 hasConcept C121332964 @default.
• W2324563136 hasConcept C12426560 @default.
• W2324563136 hasConcept C125277925 @default.
• W2324563136 hasConcept C13662910 @default.
• W2324563136 hasConcept C147597530 @default.
• W2324563136 hasConcept C152365726 @default.
• W2324563136 hasConcept C178790620 @default.
• W2324563136 hasConcept C183971685 @default.
• W2324563136 hasConcept C184779094 @default.
• W2324563136 hasConcept C185592680 @default.
• W2324563136 hasConcept C186370098 @default.
• W2324563136 hasConcept C2524010 @default.
• W2324563136 hasConcept C2776799497 @default.
• W2324563136 hasConcept C2781442258 @default.
• W2324563136 hasConcept C32909587 @default.
• W2324563136 hasConcept C33923547 @default.
• W2324563136 hasConcept C62520636 @default.
• W2324563136 hasConcept C65956243 @default.
• W2324563136 hasConcept C84551667 @default.
• W2324563136 hasConceptScore W2324563136C121332964 @default.
• W2324563136 hasConceptScore W2324563136C12426560 @default.
• W2324563136 hasConceptScore W2324563136C125277925 @default.
• W2324563136 hasConceptScore W2324563136C13662910 @default.
• W2324563136 hasConceptScore W2324563136C147597530 @default.
• W2324563136 hasConceptScore W2324563136C152365726 @default.
• W2324563136 hasConceptScore W2324563136C178790620 @default.
• W2324563136 hasConceptScore W2324563136C183971685 @default.
• W2324563136 hasConceptScore W2324563136C184779094 @default.
• W2324563136 hasConceptScore W2324563136C185592680 @default.
• W2324563136 hasConceptScore W2324563136C186370098 @default.
• W2324563136 hasConceptScore W2324563136C2524010 @default.
• W2324563136 hasConceptScore W2324563136C2776799497 @default.
• W2324563136 hasConceptScore W2324563136C2781442258 @default.
• W2324563136 hasConceptScore W2324563136C32909587 @default.
• W2324563136 hasConceptScore W2324563136C33923547 @default.
• W2324563136 hasConceptScore W2324563136C62520636 @default.

• next