Transition metal NMR chemical shifts from optimized effective potentials

Andrew M. Teale; Aron J. Cohen; David J. Tozer

doi:10.1063/1.2436876

Transition metal NMR chemical shifts from optimized effective potentials

The Journal of Chemical Physics ◽

10.1063/1.2436876 ◽

2007 ◽

Vol 126 (7) ◽

pp. 074101 ◽

Cited By ~ 21

Author(s):

Andrew M. Teale ◽

Aron J. Cohen ◽

David J. Tozer

Keyword(s):

Transition Metal ◽

Chemical Shifts ◽

Nmr Chemical Shifts ◽

Effective Potentials

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Transition metal NMR chemical shifts and polarizability effect in organometallic complexes

Magnetic Resonance in Chemistry ◽

10.1002/mrc.2465 ◽

2009 ◽

Vol 47 (9) ◽

pp. 782-790 ◽

Cited By ~ 14

Author(s):

Alexey N. Egorochkin ◽

Olga V. Kuznetsova ◽

Nadiya M. Khamaletdinova ◽

Yury A. Kurskii ◽

Lada G. Domratcheva-Lvova ◽

...

Keyword(s):

Transition Metal ◽

Chemical Shifts ◽

Organometallic Complexes ◽

Nmr Chemical Shifts ◽

Polarizability Effect

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Thermal Effects and Vibrational Corrections to Transition Metal NMR Chemical Shifts

Chemistry - A European Journal ◽

10.1002/chem.200400256 ◽

2004 ◽

Vol 10 (21) ◽

pp. 5541-5552 ◽

Cited By ~ 39

Author(s):

Sonja Grigoleit ◽

Michael Bühl

Keyword(s):

Transition Metal ◽

Thermal Effects ◽

Chemical Shifts ◽

Nmr Chemical Shifts

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Trends in NMR chemical shifts of d0 transition metal compounds

Journal of Organometallic Chemistry ◽

10.1016/j.jorganchem.2017.03.044 ◽

2017 ◽

Vol 852 ◽

pp. 74-93 ◽

Cited By ~ 6

Author(s):

Zi-Ling Xue ◽

Tabitha M. Cook ◽

Adam C. Lamb

Keyword(s):

Transition Metal ◽

Chemical Shifts ◽

Transition Metal Compounds ◽

Metal Compounds ◽

Nmr Chemical Shifts

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The Correlation Between Transition Metal NMR Chemical Shifts and the Stability of Coordination Compounds

Comments on Inorganic Chemistry ◽

10.1080/02603599608033866 ◽

1996 ◽

Vol 18 (5-6) ◽

pp. 305-323 ◽

Cited By ~ 10

Author(s):

Lars Öhrström

Keyword(s):

Transition Metal ◽

Coordination Compounds ◽

Chemical Shifts ◽

Nmr Chemical Shifts ◽

The Stability

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ChemInform Abstract: Correlations Between Transition-Metal NMR Chemical Shifts and Reactivities

ChemInform ◽

10.1002/chin.200001299 ◽

2010 ◽

Vol 31 (1) ◽

pp. no-no

Author(s):

M. Buhl

Keyword(s):

Transition Metal ◽

Chemical Shifts ◽

Nmr Chemical Shifts

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Scalar Relativistic Effects on 17O NMR Chemical Shifts in Transition-Metal Oxo Complexes. An ab Initio ECP/DFT Study. [Erratum to document cited in CA122:254385]

Journal of the American Chemical Society ◽

10.1021/ja00137a036 ◽

1995 ◽

Vol 117 (32) ◽

pp. 8492-8492 ◽

Cited By ~ 13

Author(s):

Martin Kaupp ◽

Vladimir G. Malkin ◽

Olga L. Malkina ◽

Dennis R. Salahub

Keyword(s):

Transition Metal ◽

Ab Initio ◽

Chemical Shifts ◽

Relativistic Effects ◽

Dft Study ◽

17O Nmr ◽

Nmr Chemical Shifts ◽

Oxo Complexes

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INDUCED CURRENTS AND AN 1H NMR CHEMICAL SHIFTS IN TRANSITION METAL CLUSTERS (m-H)2Fe3(m3-Q)(CO)9 (Q = S, Se, Te)

Журнал структурной химии ◽

10.15372/jsc20170502 ◽

2017 ◽

Keyword(s):

Transition Metal ◽

1H Nmr ◽

Metal Clusters ◽

Chemical Shifts ◽

Transition Metal Clusters ◽

Nmr Chemical Shifts ◽

Induced Currents

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Ligand field interpretation of metal NMR chemical shifts in octahedral d6 transition metal complexes

Coordination Chemistry Reviews ◽

10.1016/0010-8545(89)80033-5 ◽

1989 ◽

Vol 96 ◽

pp. 253-290 ◽

Cited By ~ 39

Author(s):

N. Juranić

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Chemical Shifts ◽

Ligand Field ◽

Nmr Chemical Shifts

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Density functional computations of transition metal NMR chemical shifts: dramatic effects of Hartree-Fock exchange

Chemical Physics Letters ◽

10.1016/s0009-2614(97)00095-x ◽

1997 ◽

Vol 267 (3-4) ◽

pp. 251-257 ◽

Cited By ~ 88

Author(s):

Michael Bühl

Keyword(s):

Transition Metal ◽

Density Functional ◽

Chemical Shifts ◽

Nmr Chemical Shifts ◽

Hartree Fock ◽

Density Functional Computations

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ChemInform Abstract: Effect of Geometrical Isomerism on Metal NMR Chemical Shifts in Octahedral d6 Transition-Metal Complexes.

ChemInform ◽

10.1002/chin.198815039 ◽

1988 ◽

Vol 19 (15) ◽

Author(s):

N. JURANIC

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Chemical Shifts ◽

Nmr Chemical Shifts ◽

Geometrical Isomerism

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