Sources of error in DFT computations of C-C bond formation thermochemistries: pi-->sigma transformations and error cancellation by DFT methods.
Publication type: Journal Article
Publication date: 2008-09-22
scimago Q1
wos Q1
SJR: 5.550
CiteScore: 27.6
Impact factor: 16.9
ISSN: 14337851, 15213773
PubMed ID:
18752237
General Chemistry
Catalysis
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168
Total citations:
168
Citations from 2025:
5
(2.98%)
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Pieniazek S. N., Clemente F. R., Houk K. N. Sources of error in DFT computations of C-C bond formation thermochemistries: pi-->sigma transformations and error cancellation by DFT methods. // Angewandte Chemie - International Edition. 2008. Vol. 47. No. 40. pp. 7746-7749.
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Pieniazek S. N., Clemente F. R., Houk K. N. Sources of error in DFT computations of C-C bond formation thermochemistries: pi-->sigma transformations and error cancellation by DFT methods. // Angewandte Chemie - International Edition. 2008. Vol. 47. No. 40. pp. 7746-7749.
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RIS
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TY - JOUR
DO - 10.1002/anie.200801843
UR - https://doi.org/10.1002/anie.200801843
TI - Sources of error in DFT computations of C-C bond formation thermochemistries: pi-->sigma transformations and error cancellation by DFT methods.
T2 - Angewandte Chemie - International Edition
AU - Pieniazek, Susan N
AU - Clemente, Fernando R.
AU - Houk, K. N.
PY - 2008
DA - 2008/09/22
PB - Wiley
SP - 7746-7749
IS - 40
VL - 47
PMID - 18752237
SN - 1433-7851
SN - 1521-3773
ER -
Cite this
BibTex (up to 50 authors)
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@article{2008_Pieniazek,
author = {Susan N Pieniazek and Fernando R. Clemente and K. N. Houk},
title = {Sources of error in DFT computations of C-C bond formation thermochemistries: pi-->sigma transformations and error cancellation by DFT methods.},
journal = {Angewandte Chemie - International Edition},
year = {2008},
volume = {47},
publisher = {Wiley},
month = {sep},
url = {https://doi.org/10.1002/anie.200801843},
number = {40},
pages = {7746--7749},
doi = {10.1002/anie.200801843}
}
Cite this
MLA
Copy
Pieniazek, Susan N., et al. “Sources of error in DFT computations of C-C bond formation thermochemistries: pi-->sigma transformations and error cancellation by DFT methods..” Angewandte Chemie - International Edition, vol. 47, no. 40, Sep. 2008, pp. 7746-7749. https://doi.org/10.1002/anie.200801843.