Basis set superposition error (English Wikipedia)

Analysis of information sources in references of the Wikipedia article "Basis set superposition error" in English language version.

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doi.org

  • Balabin, Roman M. (2008). "Enthalpy difference between conformations of normal alkanes: Intramolecular basis set superposition error (BSSE) in the case of n-butane and n-hexane". J. Chem. Phys. 129 (16): 164101. Bibcode:2008JChPh.129p4101B. doi:10.1063/1.2997349. PMID 19045241.
  • Liedl, Klaus R. (1998). "Dangers of counterpoise corrected hypersurfaces. Advantages of basis set superposition improvement". The Journal of Chemical Physics. 108 (8): 3199–3204. Bibcode:1998JChPh.108.3199L. doi:10.1063/1.475715.
  • Mayer, I.; Valiron, P. (1998). "Second order Møller–Plesset perturbation theory without basis set superposition error". J. Chem. Phys. 109 (9): 3360–3373. Bibcode:1998JChPh.109.3360M. doi:10.1063/1.476931.
  • Van Duijneveldt, Frans B.; van Duijneveldt-van de Rijdt, Jeanne G. C. M.; van Lenthe, Joop H. (1994). "State of the art in counterpoise theory". Chem. Rev. 94 (7): 1873–1885. doi:10.1021/cr00031a007.
  • Paizs, Béla; Suhai, Sándor (1998). "Comparative study of BSSE correction methods at DFT and MP2 levels of theory". J. Comput. Chem. 19 (6): 575–584. doi:10.1002/(SICI)1096-987X(19980430)19:6<575::AID-JCC1>3.0.CO;2-O.
  • Mentel, Lukasz; Baerends, Evert Jan (2013). "Can the Counterpoise Correction for Basis Set Superposition Effect Be Justified?". J. Comput. Chem. 10 (1): 252–267. doi:10.1021/ct400990u. PMID 26579908.
  • Mayer, I. (2004). "Interrelations between the a priori and a posteriori BSSE correction schemes". Int. J. Quantum Chem. 100 (4): 559–566. doi:10.1002/qua.10827.

harvard.edu

ui.adsabs.harvard.edu

  • Balabin, Roman M. (2008). "Enthalpy difference between conformations of normal alkanes: Intramolecular basis set superposition error (BSSE) in the case of n-butane and n-hexane". J. Chem. Phys. 129 (16): 164101. Bibcode:2008JChPh.129p4101B. doi:10.1063/1.2997349. PMID 19045241.
  • Liedl, Klaus R. (1998). "Dangers of counterpoise corrected hypersurfaces. Advantages of basis set superposition improvement". The Journal of Chemical Physics. 108 (8): 3199–3204. Bibcode:1998JChPh.108.3199L. doi:10.1063/1.475715.
  • Mayer, I.; Valiron, P. (1998). "Second order Møller–Plesset perturbation theory without basis set superposition error". J. Chem. Phys. 109 (9): 3360–3373. Bibcode:1998JChPh.109.3360M. doi:10.1063/1.476931.

itim-cj.ro

nih.gov

pubmed.ncbi.nlm.nih.gov

  • Balabin, Roman M. (2008). "Enthalpy difference between conformations of normal alkanes: Intramolecular basis set superposition error (BSSE) in the case of n-butane and n-hexane". J. Chem. Phys. 129 (16): 164101. Bibcode:2008JChPh.129p4101B. doi:10.1063/1.2997349. PMID 19045241.
  • Mentel, Lukasz; Baerends, Evert Jan (2013). "Can the Counterpoise Correction for Basis Set Superposition Effect Be Justified?". J. Comput. Chem. 10 (1): 252–267. doi:10.1021/ct400990u. PMID 26579908.

rsc.org

tu-muenchen.de

qcl.theochem.tu-muenchen.de

udg.es

stark.udg.es

web.archive.org