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

53 Citationer (Scopus)

Originalsprog	Engelsk
Tidsskrift	Journal of Chemical Theory and Computation
Vol/bind	4
Udgave nummer	2
Sider (fra-til)	267-277
ISSN	1549-9618
DOI	https://doi.org/10.1021/ct700285j
Status	Udgivet - 2008

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Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

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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",

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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 -