메뉴 건너뛰기




Volumn 72, Issue 1, 2007, Pages 64-82

The nuclear quadrupole moment of 14N from accurate electric field gradient calculations and microwave spectra of NP molecule

Author keywords

Ab initio; Basis sets; CCSD(T); Coupled cluster calculations; Electric field gradients; Gaussian; Infinite order scalar relativistic method; Nuclear quadrupole moment of 14N

Indexed keywords


EID: 34147217093     PISSN: 00100765     EISSN: None     Source Type: Journal    
DOI: 10.1135/cccc20070064     Document Type: Article
Times cited : (10)

References (85)
  • 1
    • 0004253422 scopus 로고
    • Freeman A. J, Frankel R. B, Eds, Academic Press, New York
    • Freeman A. J., Frankel R. B. (Eds): Hyperfine Interactions. Academic Press, New York 1967.
    • (1967) Hyperfine Interactions
  • 25
    • 0000397028 scopus 로고    scopus 로고
    • de Jong W. A., Styszyński J., Visscher L., Nieuwpoort W. C.: J. Chem. Phys. 1998, 108, 5177.
    • de Jong W. A., Styszyński J., Visscher L., Nieuwpoort W. C.: J. Chem. Phys. 1998, 108, 5177.
  • 72
    • 34147211698 scopus 로고    scopus 로고
    • The IOTC method was implemented in the local version of the Molcas 5.4 system of programs by D. Kȩdziera (Department of Quantum Chemistry, Institute of Chemistry, Nicolaus Copernicus University, Toruń, Poland, 2003) and by D. Kȩdziera and one of the present authors (V.K.) in Molcas 6.5. The corresponding patches for Molcas 5 and Molcas 6 releases of Molcas can be obtained directly either from D. Kçdziera (e-mail: teodar@chem.uni.torun.pl) or from V. Kellö (e-mail: kelloe@fns.uniba.sk).
    • The IOTC method was implemented in the local version of the Molcas 5.4 system of programs by D. Kȩdziera (Department of Quantum Chemistry, Institute of Chemistry, Nicolaus Copernicus University, Toruń, Poland, 2003) and by D. Kȩdziera and one of the present authors (V.K.) in Molcas 6.5. The corresponding patches for Molcas 5 and Molcas 6 releases of Molcas can be obtained directly either from D. Kçdziera (e-mail: teodar@chem.uni.torun.pl) or from V. Kellö (e-mail: kelloe@fns.uniba.sk).
  • 79
    • 34147212922 scopus 로고    scopus 로고
    • Andersson K, Barysz M, Bernhardsson A, Blomberg M. R. A, Cooper D. L, Fülscher M. P, de Graaf C, Hess B. A, Karlström G, Lindh R, Malmqvist P.-Å, Nakajima T, Neogrády P, Olsen J, Roos B. O, Schimmelpfennig B, Schütz M, Seijo L, Serrano-Andrès L, Siegbahn P. E. M, Ståking J, Thorsteinsson T, Veryazov V, Widmark P.-O, Molcas, Version 5.4, Lund University, Lund 2002
    • Andersson K., Barysz M., Bernhardsson A., Blomberg M. R. A., Cooper D. L., Fülscher M. P., de Graaf C., Hess B. A., Karlström G., Lindh R., Malmqvist P.-Å., Nakajima T., Neogrády P., Olsen J., Roos B. O., Schimmelpfennig B., Schütz M., Seijo L., Serrano-Andrès L., Siegbahn P. E. M., Ståking J., Thorsteinsson T., Veryazov V., Widmark P.-O.: Molcas, Version 5.4., Lund University, Lund 2002.
  • 80
    • 34147213247 scopus 로고    scopus 로고
    • Andersson K, Barysz M, Bernhardsson A, Blomberg M. R. A, Carissan Y, Cooper D. L, Cossi M, Devararajan A, Fülscher M. P, Gaenko A, Gagliardi L, de Graaf C, Hagberg D, Hess B. A, Karlström G, Krogh J. W, Lindh R, Malmqvist P.-Å, Nakajima T, Neogrády P, Olsen J, Pedersen T. B, Raab J, Roos B. O, Ryde U, Schimmelpfennig B, Schütz M, Seijo L, Serrano-Andrès L, Siegbahn P. E. M, Stårring J, Thorsteinsson T, Veryazov V, Widmark P.-O, Molcas, Version 6.5. Lund University, Lund 2006
    • Andersson K., Barysz M., Bernhardsson A., Blomberg M. R. A., Carissan Y., Cooper D. L., Cossi M., Devararajan A., Fülscher M. P., Gaenko A., Gagliardi L., de Graaf C., Hagberg D., Hess B. A., Karlström G., Krogh J. W., Lindh R., Malmqvist P.-Å., Nakajima T., Neogrády P., Olsen J., Pedersen T. B., Raab J., Roos B. O., Ryde U., Schimmelpfennig B., Schütz M., Seijo L., Serrano-Andrès L., Siegbahn P. E. M., Stårring J., Thorsteinsson T., Veryazov V., Widmark P.-O.: Molcas, Version 6.5. Lund University, Lund 2006.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.