FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2008077993> ?p ?o ?g. }

• W2008077993 endingPage "636" @default.
• W2008077993 startingPage "631" @default.
• W2008077993 abstract "Quantum chemical calculations have been performed in half-projected Hartree–Fock (HPHF) and CIS approaches for estimating the energy levels of the lowest two excited states of hydrogen peroxide. Geometry optimization was performed for the respective states at the equilibrium configuration with an elaborate quadrupole-zeta basis set augmented with polarization and diffuse functions. The model of the nonrigid rotor in an anharmonic potential was used for calculating the frequencies and intensities of the torsional mode, and the spectroscopic parameters were evaluated with a view to understand more closely the vibrational structure associated with the experimental ultraviolet (UV) spectrum of this molecule. While the spectroscopic parameters are new, reasonably good agreement is achieved for the frequencies of the torsional mode with the existing theoretical and experimental data for the 11B state. ©1999 John Wiley & Sons, Inc. Int J Quant Chem 75: 631–636, 1999" @default.
• W2008077993 created "2016-06-24" @default.
• W2008077993 creator A5010412663 @default.
• W2008077993 creator A5027032743 @default.
• W2008077993 creator A5084111269 @default.
• W2008077993 date "1999-01-01" @default.
• W2008077993 modified "2023-09-26" @default.
• W2008077993 title "Half-projected Hartree-Fock calculations for the spectroscopic parameters, frequencies, and intensities of the torsional mode of the lowest lying singlet excited states of hydrogen peroxide" @default.
• W2008077993 cites W1977753147 @default.
• W2008077993 cites W1977928703 @default.
• W2008077993 cites W1982830150 @default.
• W2008077993 cites W1992156123 @default.
• W2008077993 cites W1996986858 @default.
• W2008077993 cites W1997704558 @default.
• W2008077993 cites W1998276844 @default.
• W2008077993 cites W2005156161 @default.
• W2008077993 cites W2007289395 @default.
• W2008077993 cites W2009187142 @default.
• W2008077993 cites W2013584799 @default.
• W2008077993 cites W2015219039 @default.
• W2008077993 cites W2021059807 @default.
• W2008077993 cites W2027589422 @default.
• W2008077993 cites W2039417259 @default.
• W2008077993 cites W2039941722 @default.
• W2008077993 cites W2041476979 @default.
• W2008077993 cites W2041784532 @default.
• W2008077993 cites W2041792458 @default.
• W2008077993 cites W2043756903 @default.
• W2008077993 cites W2053138296 @default.
• W2008077993 cites W2054945699 @default.
• W2008077993 cites W2063372404 @default.
• W2008077993 cites W2065047852 @default.
• W2008077993 cites W2067262760 @default.
• W2008077993 cites W2067305578 @default.
• W2008077993 cites W2067408917 @default.
• W2008077993 cites W2068082995 @default.
• W2008077993 cites W2068957070 @default.
• W2008077993 cites W2071337130 @default.
• W2008077993 cites W2074455139 @default.
• W2008077993 cites W2074940525 @default.
• W2008077993 cites W2088283266 @default.
• W2008077993 cites W2093063275 @default.
• W2008077993 cites W2163680844 @default.
• W2008077993 cites W4231773071 @default.
• W2008077993 cites W3012775784 @default.
• W2008077993 doi "https://doi.org/10.1002/(sici)1097-461x(1999)75:4/5<631::aid-qua29>3.0.co;2-l" @default.
• W2008077993 hasPublicationYear "1999" @default.
• W2008077993 type Work @default.
• W2008077993 sameAs 2008077993 @default.
• W2008077993 citedByCount "3" @default.
• W2008077993 countsByYear W20080779932014 @default.
• W2008077993 crossrefType "journal-article" @default.
• W2008077993 hasAuthorship W2008077993A5010412663 @default.
• W2008077993 hasAuthorship W2008077993A5027032743 @default.
• W2008077993 hasAuthorship W2008077993A5084111269 @default.
• W2008077993 hasConcept C113630233 @default.
• W2008077993 hasConcept C121332964 @default.
• W2008077993 hasConcept C147597530 @default.
• W2008077993 hasConcept C147724859 @default.
• W2008077993 hasConcept C178790620 @default.
• W2008077993 hasConcept C181500209 @default.
• W2008077993 hasConcept C184779094 @default.
• W2008077993 hasConcept C185592680 @default.
• W2008077993 hasConcept C2777529809 @default.
• W2008077993 hasConcept C32909587 @default.
• W2008077993 hasConcept C33062035 @default.
• W2008077993 hasConcept C39984356 @default.
• W2008077993 hasConcept C62520636 @default.
• W2008077993 hasConcept C65956243 @default.
• W2008077993 hasConcept C84551667 @default.
• W2008077993 hasConceptScore W2008077993C113630233 @default.
• W2008077993 hasConceptScore W2008077993C121332964 @default.
• W2008077993 hasConceptScore W2008077993C147597530 @default.
• W2008077993 hasConceptScore W2008077993C147724859 @default.
• W2008077993 hasConceptScore W2008077993C178790620 @default.
• W2008077993 hasConceptScore W2008077993C181500209 @default.
• W2008077993 hasConceptScore W2008077993C184779094 @default.
• W2008077993 hasConceptScore W2008077993C185592680 @default.
• W2008077993 hasConceptScore W2008077993C2777529809 @default.
• W2008077993 hasConceptScore W2008077993C32909587 @default.
• W2008077993 hasConceptScore W2008077993C33062035 @default.
• W2008077993 hasConceptScore W2008077993C39984356 @default.
• W2008077993 hasConceptScore W2008077993C62520636 @default.
• W2008077993 hasConceptScore W2008077993C65956243 @default.
• W2008077993 hasConceptScore W2008077993C84551667 @default.
• W2008077993 hasIssue "4-5" @default.
• W2008077993 hasLocation W20080779931 @default.
• W2008077993 hasOpenAccess W2008077993 @default.
• W2008077993 hasPrimaryLocation W20080779931 @default.
• W2008077993 hasRelatedWork W1986865403 @default.
• W2008077993 hasRelatedWork W2004230934 @default.
• W2008077993 hasRelatedWork W2008077993 @default.
• W2008077993 hasRelatedWork W2032324814 @default.
• W2008077993 hasRelatedWork W2061575015 @default.
• W2008077993 hasRelatedWork W2062699791 @default.
• W2008077993 hasRelatedWork W2093371021 @default.
• W2008077993 hasRelatedWork W2113346438 @default.
• W2008077993 hasRelatedWork W2251272965 @default.

• next