From CCSD(T)/aug-cc-pVTZ-J to CCSD(T) Complete Basis Set Limit Isotropic Nuclear Magnetic Shieldings via affordable DFT/CBS Calculations

Research output: Contribution to journalJournal articleResearchpeer-review

Standard

From CCSD(T)/aug-cc-pVTZ-J to CCSD(T) Complete Basis Set Limit Isotropic Nuclear Magnetic Shieldings via affordable DFT/CBS Calculations. / Kupka, Teobald; Stachow, Michal; Nieradka, Marzena; Kaminsky, Jakub; Pluta, Tadeusz; Sauer, Stephan P. A.

In: Magnetic Resonance in Chemistry, Vol. 49, No. 4, 09.03.2011, p. 231-236.

Research output: Contribution to journalJournal articleResearchpeer-review

Harvard

Kupka, T, Stachow, M, Nieradka, M, Kaminsky, J, Pluta, T & Sauer, SPA 2011, 'From CCSD(T)/aug-cc-pVTZ-J to CCSD(T) Complete Basis Set Limit Isotropic Nuclear Magnetic Shieldings via affordable DFT/CBS Calculations', Magnetic Resonance in Chemistry, vol. 49, no. 4, pp. 231-236. https://doi.org/10.1002/mrc.2738

APA

Kupka, T., Stachow, M., Nieradka, M., Kaminsky, J., Pluta, T., & Sauer, S. P. A. (2011). From CCSD(T)/aug-cc-pVTZ-J to CCSD(T) Complete Basis Set Limit Isotropic Nuclear Magnetic Shieldings via affordable DFT/CBS Calculations. Magnetic Resonance in Chemistry, 49(4), 231-236. https://doi.org/10.1002/mrc.2738

Vancouver

Kupka T, Stachow M, Nieradka M, Kaminsky J, Pluta T, Sauer SPA. From CCSD(T)/aug-cc-pVTZ-J to CCSD(T) Complete Basis Set Limit Isotropic Nuclear Magnetic Shieldings via affordable DFT/CBS Calculations. Magnetic Resonance in Chemistry. 2011 Mar 9;49(4):231-236. https://doi.org/10.1002/mrc.2738

Author

Kupka, Teobald ; Stachow, Michal ; Nieradka, Marzena ; Kaminsky, Jakub ; Pluta, Tadeusz ; Sauer, Stephan P. A. / From CCSD(T)/aug-cc-pVTZ-J to CCSD(T) Complete Basis Set Limit Isotropic Nuclear Magnetic Shieldings via affordable DFT/CBS Calculations. In: Magnetic Resonance in Chemistry. 2011 ; Vol. 49, No. 4. pp. 231-236.

Bibtex

@article{fec731deba6d46c798b128d5c395cff8,
title = "From CCSD(T)/aug-cc-pVTZ-J to CCSD(T) Complete Basis Set Limit Isotropic Nuclear Magnetic Shieldings via affordable DFT/CBS Calculations",
keywords = "Faculty of Science, NMR Spectroscopy, Quantum Chemistry, Theoretical Chemistry, Scientific Computing",
author = "Teobald Kupka and Michal Stachow and Marzena Nieradka and Jakub Kaminsky and Tadeusz Pluta and Sauer, {Stephan P. A.}",
year = "2011",
month = "3",
day = "9",
doi = "10.1002/mrc.2738",
language = "English",
volume = "49",
pages = "231--236",
journal = "Magnetic Resonance in Chemistry",
issn = "0749-1581",
publisher = "JohnWiley & Sons Ltd",
number = "4",

}

RIS

TY - JOUR

T1 - From CCSD(T)/aug-cc-pVTZ-J to CCSD(T) Complete Basis Set Limit Isotropic Nuclear Magnetic Shieldings via affordable DFT/CBS Calculations

AU - Kupka, Teobald

AU - Stachow, Michal

AU - Nieradka, Marzena

AU - Kaminsky, Jakub

AU - Pluta, Tadeusz

AU - Sauer, Stephan P. A.

PY - 2011/3/9

Y1 - 2011/3/9

KW - Faculty of Science

KW - NMR Spectroscopy

KW - Quantum Chemistry

KW - Theoretical Chemistry

KW - Scientific Computing

U2 - 10.1002/mrc.2738

DO - 10.1002/mrc.2738

M3 - Journal article

VL - 49

SP - 231

EP - 236

JO - Magnetic Resonance in Chemistry

JF - Magnetic Resonance in Chemistry

SN - 0749-1581

IS - 4

ER -

ID: 32317647