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том 100 издание 13 номер публикации 133002

Nuclear Magnetic Resonance Chemical Shift in an Arbitrary Electronic Spin State

Тип публикацииJournal Article
Дата публикации2008-04-02
SCImago Q1
Tоп 10% SCImago
WOS Q1
БС1
SJR2.79
CiteScore14.2
Impact factor9.4
ISSN00319007, 10797114
General Physics and Astronomy
Краткое описание
We present a general and systematic electronic structure theory of the nuclear magnetic resonance shielding tensor and the associated chemical shift for paramagnetic atoms, molecules, and nonmetallic solids. The approach is for the first time rigorous for an arbitrary spin state as well as arbitrary spatial symmetry and is formulated without reference to spin susceptibility. The leading-order magnetic-field dependence of shielding is derived. The theory is demonstrated by first principles calculations of organometallic molecules.
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ГОСТ |
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Pennanen T. O., Armstrong J. D., Vaara J. Nuclear Magnetic Resonance Chemical Shift in an Arbitrary Electronic Spin State // Physical Review Letters. 2008. Vol. 100. No. 13. 133002
ГОСТ со всеми авторами (до 50) Скопировать
Pennanen T. O., Armstrong J. D., Vaara J. Nuclear Magnetic Resonance Chemical Shift in an Arbitrary Electronic Spin State // Physical Review Letters. 2008. Vol. 100. No. 13. 133002
RIS |
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TY - JOUR
DO - 10.1103/physrevlett.100.133002
UR - https://doi.org/10.1103/physrevlett.100.133002
TI - Nuclear Magnetic Resonance Chemical Shift in an Arbitrary Electronic Spin State
T2 - Physical Review Letters
AU - Pennanen, Teemu O.
AU - Armstrong, John D.
AU - Vaara, Juha
PY - 2008
DA - 2008/04/02
PB - American Physical Society (APS)
IS - 13
VL - 100
PMID - 18517943
SN - 0031-9007
SN - 1079-7114
ER -
BibTex
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BibTex (до 50 авторов) Скопировать
@article{2008_Pennanen,
author = {Teemu O. Pennanen and John D. Armstrong and Juha Vaara},
title = {Nuclear Magnetic Resonance Chemical Shift in an Arbitrary Electronic Spin State},
journal = {Physical Review Letters},
year = {2008},
volume = {100},
publisher = {American Physical Society (APS)},
month = {apr},
url = {https://doi.org/10.1103/physrevlett.100.133002},
number = {13},
pages = {133002},
doi = {10.1103/physrevlett.100.133002}
}
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