ScienceGate
Advanced Search
Author Search
Journal Finder
Blog
Sign in / Sign up
ScienceGate
Search
Author Search
Journal Finder
Blog
Sign in / Sign up
Relativistic effect of iodine in 13C NMR chemical shifts of iodomethanes from quantum chemical calculations within the framework of the full four-component relativistic Dirac—Coulomb scheme
Russian Chemical Bulletin
◽
10.1007/s11172-015-1221-y
◽
2015
◽
Vol 64
(12)
◽
pp. 2756-2762
◽
Cited By ~ 10
Author(s):
D. O. Samultsev
◽
Yu. Yu. Rusakov
◽
L. B. Krivdin
Keyword(s):
Quantum Chemical Calculations
◽
13C Nmr
◽
Quantum Chemical
◽
Relativistic Effect
◽
Chemical Shifts
◽
Nmr Chemical Shifts
◽
13C Nmr Chemical Shifts
Download Full-text
Related Documents
Cited By
References
Quantum-chemical calculations of NMR chemical shifts of organic molecules: XII. Calculation of the 13C NMR chemical shifts of fluoromethanes at the DFT level
Russian Journal of Organic Chemistry
◽
10.1134/s107042801402002x
◽
2014
◽
Vol 50
(2)
◽
pp. 160-164
◽
Cited By ~ 6
Author(s):
S. V. Fedorov
◽
Yu. Yu. Rusakov
◽
L. B. Krivdin
Keyword(s):
Quantum Chemical Calculations
◽
13C Nmr
◽
Quantum Chemical
◽
Organic Molecules
◽
Chemical Shifts
◽
Nmr Chemical Shifts
◽
13C Nmr Chemical Shifts
Download Full-text
Quantum-chemical calculations of NMR chemical shifts of organic molecules: XIV. Solvation effects in calculations of chemical shifts in 13C NMR spectra of chlorine-containing compounds
Russian Journal of Organic Chemistry
◽
10.1134/s1070428014080028
◽
2014
◽
Vol 50
(8)
◽
pp. 1082-1086
◽
Cited By ~ 4
Author(s):
S. V. Fedorov
◽
Yu. Yu. Rusakov
◽
L. B. Krivdin
Keyword(s):
Quantum Chemical Calculations
◽
13C Nmr
◽
Quantum Chemical
◽
Nmr Spectra
◽
Organic Molecules
◽
Chemical Shifts
◽
13C Nmr Spectra
◽
Solvation Effects
◽
Nmr Chemical Shifts
Download Full-text
A computationally feasible quantum chemical model for 13C NMR chemical shifts of PCB-derived carboxylic acids
Chemosphere
◽
10.1016/j.chemosphere.2005.04.105
◽
2006
◽
Vol 62
(3)
◽
pp. 368-374
◽
Cited By ~ 4
Author(s):
Erkki Kolehmainen
◽
Kari Tuppurainen
◽
Svetlana A. Lanina
◽
Elina Sievänen
◽
Katri Laihia
◽
...
Keyword(s):
Carboxylic Acids
◽
13C Nmr
◽
Quantum Chemical
◽
Chemical Shifts
◽
Chemical Model
◽
Nmr Chemical Shifts
◽
13C Nmr Chemical Shifts
◽
Quantum Chemical Model
Download Full-text
Theoretical evidence for the major isomers of fullerene C84 based on 13C NMR chemical shifts
New Journal of Chemistry
◽
10.1039/b004944l
◽
2000
◽
Vol 24
(10)
◽
pp. 741-743
◽
Cited By ~ 11
Author(s):
Guangyu Sun
◽
Miklos Kertesz
Keyword(s):
13C Nmr
◽
Chemical Shifts
◽
Nmr Chemical Shifts
◽
13C Nmr Chemical Shifts
◽
Theoretical Evidence
Download Full-text
Interpretation of 13C NMR chemical shifts in halomethyl cations. On the importance of spin-orbit coupling and electron correlation
Chemical Physics Letters
◽
10.1016/s0009-2614(96)01425-x
◽
1997
◽
Vol 265
(1-2)
◽
pp. 55-59
◽
Cited By ~ 72
Author(s):
Martin Kaupp
◽
Olga L. Malkin
◽
Vladimir G. Malkin
Keyword(s):
13C Nmr
◽
Electron Correlation
◽
Chemical Shifts
◽
Orbit Coupling
◽
Spin Orbit Coupling
◽
Spin Orbit
◽
Nmr Chemical Shifts
◽
13C Nmr Chemical Shifts
Download Full-text
ChemInform Abstract: Comparative Study of 13C NMR Chemical Shifts of Anisoles and Thioanisoles.
ChemInform
◽
10.1002/chin.199323040
◽
2010
◽
Vol 24
(23)
◽
pp. no-no
Author(s):
V. BALIAH
◽
V. PREMASAGAR
◽
M. UMA
◽
A. MANGALAMUDAIYAR
Keyword(s):
Comparative Study
◽
13C Nmr
◽
Chemical Shifts
◽
Nmr Chemical Shifts
◽
13C Nmr Chemical Shifts
Download Full-text
ChemInform Abstract: Substituent Influences on the Stability of the Ring and Chain Tautomers in 1,3-O,N-Heterocyclic Systems: Characterization by 13C NMR Chemical Shifts, PM3 Charge Densities, and Isodesmic Reactions
ChemInform
◽
10.1002/chin.200139024
◽
2010
◽
Vol 32
(39)
◽
pp. no-no
Author(s):
Kari Neuvonen
◽
Ferenc Fueloep
◽
Helmi Neuvonen
◽
Andreas Koch
◽
Erich Kleinpeter
◽
...
Keyword(s):
13C Nmr
◽
Chemical Shifts
◽
Isodesmic Reactions
◽
Nmr Chemical Shifts
◽
Charge Densities
◽
13C Nmr Chemical Shifts
◽
The Stability
Download Full-text
13C NMR chemical shifts of ovalifoliene and related compounds with the 2,3-seco-alloaromadendrane skeleton: Structure of (+)-9α-acetoxyovalifoliene, a plant growth inhibitor
Phytochemistry
◽
10.1016/0031-9422(81)83028-2
◽
1981
◽
Vol 20
(5)
◽
pp. 1065-1068
◽
Cited By ~ 11
Author(s):
Akihiko Matsuo
◽
Kazunori Atsumi
◽
Kazumi Nadaya
◽
Mitsuru Nakayama
◽
Shûichi Hayashi
Keyword(s):
Plant Growth
◽
13C Nmr
◽
Chemical Shifts
◽
Growth Inhibitor
◽
Nmr Chemical Shifts
◽
13C Nmr Chemical Shifts
◽
Plant Growth Inhibitor
◽
Related Compounds
◽
Skeleton Structure
Download Full-text
13C NMR Chemical Shifts of Heterocycles: 3∗. Empirical Substituent Effects in 2-Halomethyl-2-hydroxy-tetrahydrofurans and -5,6-tetrahydro-4H-pyrans
Spectroscopy Letters
◽
10.1080/00387019608007056
◽
1996
◽
Vol 29
(4)
◽
pp. 631-640
◽
Cited By ~ 2
Author(s):
Marcos A.P. Martins
Keyword(s):
13C Nmr
◽
Chemical Shifts
◽
Substituent Effects
◽
Nmr Chemical Shifts
◽
13C Nmr Chemical Shifts
Download Full-text
A new derivative of dihydroochnaflavone isolated from Luxemburgia species (Ochnaceae) and the complete ¹H and 13C NMR chemical shifts assignments
Revista Brasileira de Farmacognosia
◽
10.1590/s0102-695x2009000100008
◽
2009
◽
Vol 19
(1a)
◽
pp. 33-35
Author(s):
Mario G. de Carvalho
◽
Virginia C. Silva
◽
José G. da Rocha Jr
Keyword(s):
13C Nmr
◽
Chemical Shifts
◽
Nmr Chemical Shifts
◽
13C Nmr Chemical Shifts
Download Full-text
Sign in / Sign up
Close
Export Citation Format
Close
Share Document
Close