Nuclear Magnetic Shielding Constants from Quantum Mechanical/Molecular Mechanical Calculations Using Polarizable Embedding: Role of the Embedding Potential

Casper Steinmann; Jógvan Magnus Haugaard Olsen; Jacob Kongsted

doi:10.1021/ct400880n

Nuclear Magnetic Shielding Constants from Quantum Mechanical/Molecular Mechanical Calculations Using Polarizable Embedding: Role of the Embedding Potential

Casper Steinmann, Jógvan Magnus Haugaard Olsen, Jacob Kongsted

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

Originalsprog	Udefineret/Ukendt
Tidsskrift	Journal of Chemical Theory and Computation
Vol/bind	10
Udgave nummer	3
Sider (fra-til)	981-988
Antal sider	8
ISSN	1549-9626
DOI	https://doi.org/10.1021/ct400880n
Status	Udgivet - 1 mar. 2014
Udgivet eksternt	Ja

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10.1021/ct400880n

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Citationsformater

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title = "Nuclear Magnetic Shielding Constants from Quantum Mechanical/Molecular Mechanical Calculations Using Polarizable Embedding: Role of the Embedding Potential",

author = "Casper Steinmann and Olsen, {J{\'o}gvan Magnus Haugaard} and Jacob Kongsted",

year = "2014",

month = mar,

day = "1",

doi = "10.1021/ct400880n",

language = "Udefineret/Ukendt",

volume = "10",

pages = "981--988",

journal = "Journal of Chemical Theory and Computation",

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publisher = "American Chemical Society",

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Nuclear Magnetic Shielding Constants from Quantum Mechanical/Molecular Mechanical Calculations Using Polarizable Embedding: Role of the Embedding Potential. / Steinmann, Casper; Olsen, Jógvan Magnus Haugaard; Kongsted, Jacob.
I: Journal of Chemical Theory and Computation, Bind 10, Nr. 3, 01.03.2014, s. 981-988.

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

TY - JOUR

T1 - Nuclear Magnetic Shielding Constants from Quantum Mechanical/Molecular Mechanical Calculations Using Polarizable Embedding: Role of the Embedding Potential

AU - Steinmann, Casper

AU - Olsen, Jógvan Magnus Haugaard

AU - Kongsted, Jacob

PY - 2014/3/1

Y1 - 2014/3/1

U2 - 10.1021/ct400880n

DO - 10.1021/ct400880n

M3 - Tidsskriftartikel

SN - 1549-9626

VL - 10

SP - 981

EP - 988

JO - Journal of Chemical Theory and Computation

JF - Journal of Chemical Theory and Computation

IS - 3

ER -