On the Accuracy of Density Functional Theory to Predict Shifts in Nuclear Magnetic Resonance Shielding Constants due to Hydrogen Bonding

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Original language	English
Journal	Journal of Chemical Theory and Computation
Volume	4
Issue number	2
Pages (from-to)	267-277
ISSN	1549-9618
DOIs	https://doi.org/10.1021/ct700285j
Publication status	Published - 2008

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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",

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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

SN - 1549-9618

VL - 4

SP - 267

EP - 277

JO - Journal of Chemical Theory and Computation

JF - Journal of Chemical Theory and Computation

IS - 2

ER -