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On the Accuracy of Density Functional Theory to Predict Shifts in Nuclear Magnetic Resonance Shielding Constants due to Hydrogen Bonding. / Kongsted, Jacob; Aidas, Kestutis; Mikkelsen, Kurt Valentin; Sauer, Stephan P. A.
In:
Journal of Chemical Theory and Computation, Vol. 4, No. 2, 2008, p. 267-277.
Research output: Contribution to journal › Journal article › Research › peer-review
Harvard
Kongsted, J, Aidas, K
, Mikkelsen, KV & Sauer, SPA 2008, '
On the Accuracy of Density Functional Theory to Predict Shifts in Nuclear Magnetic Resonance Shielding Constants due to Hydrogen Bonding',
Journal of Chemical Theory and Computation, vol. 4, no. 2, pp. 267-277.
https://doi.org/10.1021/ct700285jAPA
Kongsted, J., Aidas, K.
, Mikkelsen, K. V., & Sauer, S. P. A. (2008).
On the Accuracy of Density Functional Theory to Predict Shifts in Nuclear Magnetic Resonance Shielding Constants due to Hydrogen Bonding.
Journal of Chemical Theory and Computation,
4(2), 267-277.
https://doi.org/10.1021/ct700285jVancouver
Kongsted J, Aidas K
, Mikkelsen KV, Sauer SPA.
On the Accuracy of Density Functional Theory to Predict Shifts in Nuclear Magnetic Resonance Shielding Constants due to Hydrogen Bonding.
Journal of Chemical Theory and Computation. 2008;4(2):267-277.
https://doi.org/10.1021/ct700285jAuthor
Kongsted, Jacob ; Aidas, Kestutis ; Mikkelsen, Kurt Valentin ; Sauer, Stephan P. A. / On the Accuracy of Density Functional Theory to Predict Shifts in Nuclear Magnetic Resonance Shielding Constants due to Hydrogen Bonding. In: Journal of Chemical Theory and Computation. 2008 ; Vol. 4, No. 2. pp. 267-277.
Bibtex
@article{c54f1f80da2e11dcbee902004c4f4f50,
title = "On the Accuracy of Density Functional Theory to Predict Shifts in Nuclear Magnetic Resonance Shielding Constants due to Hydrogen Bonding",
author = "Jacob Kongsted and Kestutis Aidas and Mikkelsen, {Kurt Valentin} and Sauer, {Stephan P. A.}",
year = "2008",
doi = "10.1021/ct700285j",
language = "English",
volume = "4",
pages = "267--277",
journal = "Journal of Chemical Theory and Computation",
issn = "1549-9618",
publisher = "American Chemical Society",
number = "2",
}
RIS
TY - JOUR
T1 - On the Accuracy of Density Functional Theory to Predict Shifts in Nuclear Magnetic Resonance Shielding Constants due to Hydrogen Bonding
AU - Kongsted, Jacob
AU - Aidas, Kestutis
AU - Mikkelsen, Kurt Valentin
AU - Sauer, Stephan P. A.
PY - 2008
Y1 - 2008
U2 - 10.1021/ct700285j
DO - 10.1021/ct700285j
M3 - Journal article
C2 - 26620658
VL - 4
SP - 267
EP - 277
JO - Journal of Chemical Theory and Computation
JF - Journal of Chemical Theory and Computation
SN - 1549-9618
IS - 2
ER -
