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Relativistic and Dynamic effects are needed to correctly model the 1H NMR Chemical Shifts of an Iridium Polyhydride Cluster
Mapping Intimacies
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10.26226/morressier.5f6c5f439b74b699bf390ad2
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2020
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Author(s):
Abril C. Castro
◽
David Balcells
◽
Michal Repisky
◽
Trygve Helgaker
◽
Michele Cascella
Keyword(s):
1H Nmr
◽
Chemical Shifts
◽
Dynamic Effects
◽
Nmr Chemical Shifts
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References
Temperature dependence of 1H NMR chemical shifts and its influence on estimated metabolite concentrations
Magnetic Resonance Materials in Physics Biology and Medicine
◽
10.1007/s10334-017-0642-z
◽
2017
◽
Vol 30
(6)
◽
pp. 579-590
◽
Cited By ~ 3
Author(s):
Felizitas C. Wermter
◽
Nico Mitschke
◽
Christian Bock
◽
Wolfgang Dreher
Keyword(s):
Temperature Dependence
◽
1H Nmr
◽
Chemical Shifts
◽
Nmr Chemical Shifts
◽
Metabolite Concentrations
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Intramolecular O–H · · · O hydrogen bonds assisted by resonance. Correlation between crystallographic data and 1H NMR chemical shifts
Journal of the Chemical Society Perkin Transactions 2
◽
10.1039/a606862f
◽
1997
◽
pp. 945-952
◽
Cited By ~ 52
Author(s):
Valerio Bertolasi
◽
Paola Gilli
◽
Valeria Ferretti
◽
Gastone Gilli
Keyword(s):
Hydrogen Bonds
◽
1H Nmr
◽
Chemical Shifts
◽
Crystallographic Data
◽
Nmr Chemical Shifts
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Changes in 1H-NMR Chemical Shifts of Bis-GMA and Its Related Methacrylates Induced by Their Interaction with Phosphatidylcholine/Cholesterol Liposomes
Dental Materials Journal
◽
10.4012/dmj.10.121
◽
1991
◽
Vol 10
(2)
◽
pp. 121-127,231
◽
Cited By ~ 10
Author(s):
Seiichiro FUJISAWA
◽
Yoshinori KADOMA
◽
Yasuo KOMODA
Keyword(s):
1H Nmr
◽
Chemical Shifts
◽
Nmr Chemical Shifts
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Computational (solute-solvent cluster + PCM) study of medium effects on the experimental 13C and 1H NMR chemical shifts of lactones and lactams
Journal of Physical Organic Chemistry
◽
10.1002/poc.1849
◽
2011
◽
Vol 24
(12)
◽
pp. 1209-1221
◽
Cited By ~ 3
Author(s):
N. Faska
◽
A. Auhmani
◽
M. Esseffar
◽
J. L-M. Abboud
Keyword(s):
1H Nmr
◽
Chemical Shifts
◽
Medium Effects
◽
Nmr Chemical Shifts
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1H-NMR Chemical Shifts and Coupling Constants for Brain Metabolites
Encyclopedia of Magnetic Resonance
◽
10.1002/9780470034590.emrstm1530
◽
2016
◽
pp. 1347-1362
◽
Cited By ~ 4
Author(s):
Varan Govind
Keyword(s):
1H Nmr
◽
Chemical Shifts
◽
Coupling Constants
◽
Brain Metabolites
◽
Nmr Chemical Shifts
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Temperature dependence of 1H NMR chemical shifts and diffusivity of confined ethylammonium nitrate ionic liquid
Magnetic Resonance Imaging
◽
10.1016/j.mri.2020.09.012
◽
2020
◽
Vol 74
◽
pp. 84-89
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Cited By ~ 1
Author(s):
Oleg I. Gnezdilov
◽
Oleg N. Antzutkin
◽
Rustam Gimatdinov
◽
Andrei Filippov
Keyword(s):
Ionic Liquid
◽
Temperature Dependence
◽
1H Nmr
◽
Chemical Shifts
◽
Nmr Chemical Shifts
◽
Ethylammonium Nitrate
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Aggregation behavior of pyridinium based ionic liquids in water – Surface tension, 1H NMR chemical shifts, SANS and SAXS measurements
Journal of Colloid and Interface Science
◽
10.1016/j.jcis.2011.12.077
◽
2012
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Vol 371
(1)
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pp. 52-61
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Cited By ~ 53
Author(s):
Nandhibatla V. Sastry
◽
Nilesh M. Vaghela
◽
Pradip M. Macwan
◽
Saurabh S. Soni
◽
Vinod K. Aswal
◽
...
Keyword(s):
Surface Tension
◽
Ionic Liquids
◽
1H Nmr
◽
Water Surface
◽
Chemical Shifts
◽
Aggregation Behavior
◽
Nmr Chemical Shifts
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Averaging Semiempirical NMR Chemical Shifts: Dynamic Effects on the Subpicosecond Time Scale†
The Journal of Physical Chemistry A
◽
10.1021/jp902875d
◽
2009
◽
Vol 113
(43)
◽
pp. 11723-11733
◽
Cited By ~ 5
Author(s):
Tell Tuttle
Keyword(s):
Time Scale
◽
Chemical Shifts
◽
Dynamic Effects
◽
Nmr Chemical Shifts
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DFT-calculated structures based on 1H NMR chemical shifts in solution vs. structures solved by single-crystal X-ray and crystalline-sponge methods: Assessing specific sources of discrepancies
Tetrahedron
◽
10.1016/j.tet.2018.07.038
◽
2018
◽
Vol 74
(36)
◽
pp. 4728-4737
◽
Cited By ~ 8
Author(s):
Michael G. Siskos
◽
M. Iqbal Choudhary
◽
Ioannis P. Gerothanassis
Keyword(s):
Single Crystal
◽
1H Nmr
◽
Chemical Shifts
◽
X Ray
◽
Nmr Chemical Shifts
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Substituent Effects on 13C NMR and 1H NMR Chemical Shifts of CH=N in Multi-substituted Benzylideneanilines
Chinese Journal of Chemical Physics
◽
10.1063/1674-0068/31/cjcp1704077
◽
2018
◽
Vol 31
(1)
◽
pp. 45-51
◽
Cited By ~ 9
Author(s):
Chao-tun Cao
◽
Lin-yan Wang
◽
Chen-zhong Cao
Keyword(s):
1H Nmr
◽
13C Nmr
◽
Chemical Shifts
◽
Substituent Effects
◽
Nmr Chemical Shifts
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