FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2205353133> ?p ?o ?g. }

• W2205353133 abstract "Theoretical studies of the potential energy surface (PES) and bound states are performed for the N2–N2O van der Waals (vdW) complex. A four-dimensional intermolecular PES is constructed at the level of single and double excitation coupled-cluster method with a non-iterative perturbation treatment of triple excitations [CCSD(T)] with aug-cc-pVTZ basis set supplemented with bond functions. Two equivalent T-shaped global minima are located, in which the O atom of N2O monomer is near the N2 monomer. The intermolecular fundamental vibrational states are assigned by inspecting the orientation of the nodal surface of the wavefunctions. The calculated frequency for intermolecular disrotation mode is 23.086 cm−1, which is in good agreement with the available experimental data of 22.334 cm−1. A negligible tunneling splitting with the value of 4.2 MHz is determined for the ground vibrational state and the tunneling splitting increases as the increment of the vibrational frequencies. Rotational levels and transition frequencies are calculated for both isotopomers 14N2–N2O and 15N2–N2O. The accuracy of the PES is validated by the good agreement between theoretical and experimental results for the transition frequencies and spectroscopic parameters." @default.
• W2205353133 created "2016-06-24" @default.
• W2205353133 creator A5022858760 @default.
• W2205353133 creator A5059432775 @default.
• W2205353133 creator A5062129951 @default.
• W2205353133 creator A5077010575 @default.
• W2205353133 date "2015-10-19" @default.
• W2205353133 modified "2023-10-18" @default.
• W2205353133 title "Theoretical studies for the N2–N2O van der Waals complex: The potential energy surface, intermolecular vibrations, and rotational transition frequencies" @default.
• W2205353133 cites W1545133052 @default.
• W2205353133 cites W1603209234 @default.
• W2205353133 cites W1625067857 @default.
• W2205353133 cites W1969864319 @default.
• W2205353133 cites W1971265396 @default.
• W2205353133 cites W1979093703 @default.
• W2205353133 cites W1986953119 @default.
• W2205353133 cites W1990751678 @default.
• W2205353133 cites W1993640709 @default.
• W2205353133 cites W1995509092 @default.
• W2205353133 cites W2005719988 @default.
• W2205353133 cites W2013198087 @default.
• W2205353133 cites W2013265407 @default.
• W2205353133 cites W2018714309 @default.
• W2205353133 cites W2019867977 @default.
• W2205353133 cites W2023438409 @default.
• W2205353133 cites W2030015552 @default.
• W2205353133 cites W2039123339 @default.
• W2205353133 cites W2046787957 @default.
• W2205353133 cites W2051967069 @default.
• W2205353133 cites W2055366270 @default.
• W2205353133 cites W2063941273 @default.
• W2205353133 cites W2064939344 @default.
• W2205353133 cites W2065519125 @default.
• W2205353133 cites W2069050714 @default.
• W2205353133 cites W2069723789 @default.
• W2205353133 cites W2071729157 @default.
• W2205353133 cites W2074524829 @default.
• W2205353133 cites W2079024860 @default.
• W2205353133 cites W2082980343 @default.
• W2205353133 cites W2089526967 @default.
• W2205353133 cites W2090280686 @default.
• W2205353133 cites W2091825943 @default.
• W2205353133 cites W2148941593 @default.
• W2205353133 cites W4234529832 @default.
• W2205353133 cites W4237541644 @default.
• W2205353133 cites W4240035468 @default.
• W2205353133 doi "https://doi.org/10.1063/1.4933057" @default.
• W2205353133 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26493904" @default.
• W2205353133 hasPublicationYear "2015" @default.
• W2205353133 type Work @default.
• W2205353133 sameAs 2205353133 @default.
• W2205353133 citedByCount "10" @default.
• W2205353133 countsByYear W22053531332016 @default.
• W2205353133 countsByYear W22053531332017 @default.
• W2205353133 countsByYear W22053531332019 @default.
• W2205353133 countsByYear W22053531332020 @default.
• W2205353133 countsByYear W22053531332022 @default.
• W2205353133 countsByYear W22053531332023 @default.
• W2205353133 crossrefType "journal-article" @default.
• W2205353133 hasAuthorship W2205353133A5022858760 @default.
• W2205353133 hasAuthorship W2205353133A5059432775 @default.
• W2205353133 hasAuthorship W2205353133A5062129951 @default.
• W2205353133 hasAuthorship W2205353133A5077010575 @default.
• W2205353133 hasBestOaLocation W22053531332 @default.
• W2205353133 hasConcept C121332964 @default.
• W2205353133 hasConcept C125277925 @default.
• W2205353133 hasConcept C125888099 @default.
• W2205353133 hasConcept C126061179 @default.
• W2205353133 hasConcept C127124265 @default.
• W2205353133 hasConcept C147597530 @default.
• W2205353133 hasConcept C152365726 @default.
• W2205353133 hasConcept C166950319 @default.
• W2205353133 hasConcept C178790620 @default.
• W2205353133 hasConcept C184779094 @default.
• W2205353133 hasConcept C185592680 @default.
• W2205353133 hasConcept C19637589 @default.
• W2205353133 hasConcept C2781077158 @default.
• W2205353133 hasConcept C32909587 @default.
• W2205353133 hasConcept C41999313 @default.
• W2205353133 hasConcept C65956243 @default.
• W2205353133 hasConcept C73683733 @default.
• W2205353133 hasConceptScore W2205353133C121332964 @default.
• W2205353133 hasConceptScore W2205353133C125277925 @default.
• W2205353133 hasConceptScore W2205353133C125888099 @default.
• W2205353133 hasConceptScore W2205353133C126061179 @default.
• W2205353133 hasConceptScore W2205353133C127124265 @default.
• W2205353133 hasConceptScore W2205353133C147597530 @default.
• W2205353133 hasConceptScore W2205353133C152365726 @default.
• W2205353133 hasConceptScore W2205353133C166950319 @default.
• W2205353133 hasConceptScore W2205353133C178790620 @default.
• W2205353133 hasConceptScore W2205353133C184779094 @default.
• W2205353133 hasConceptScore W2205353133C185592680 @default.
• W2205353133 hasConceptScore W2205353133C19637589 @default.
• W2205353133 hasConceptScore W2205353133C2781077158 @default.
• W2205353133 hasConceptScore W2205353133C32909587 @default.
• W2205353133 hasConceptScore W2205353133C41999313 @default.
• W2205353133 hasConceptScore W2205353133C65956243 @default.
• W2205353133 hasConceptScore W2205353133C73683733 @default.
• W2205353133 hasFunder F4320321001 @default.
• W2205353133 hasIssue "15" @default.

• next