Solvent effects on the 17O NMR chemical shifts of 4-dimethylsulfoximide-1,1,1-trifluoro-3-alken-2-ones
Adilson Sinhorin
Journal of Fluorine Chemistry, 2003
View PDFchevron_right
DFT-GIAO calculations of 19 F NMR chemical shifts for perfluoro compounds
Taizo Ono
Journal of Computational Chemistry, 2004
View PDFchevron_right
Separation and fluorine nuclear magnetic resonance spectroscopic (19F NMR) analysis of individual branched isomers present in technical perfluorooctanesulfonic acid (PFOS)
Robert McCrindle
Chemosphere, 2008
View PDFchevron_right
Structure and conformational dynamics of an aromatic sulfonamide: NMR, X-Ray and computational studies
Caterina Viglianisi
Arkivoc, 2015
View PDFchevron_right
Conformational analysis. Part 33.1 An NMR, solvation and theoretical investigation of conformational isomerism in N,N-dimethylfluoroacetamide and N,N-dimethyl-α-fluoropropionamide
Ernani Basso
Journal of the Chemical Society, Perkin Transactions 2, 2000
View PDFchevron_right
Conformational analysis in N-methylfluoroamides. A theoretical, NMR and IR investigation
Nader de Sousa Amadeu
Journal of the Chemical Society, Perkin Transactions 2, 2002
View PDFchevron_right
Demystifying fluorine chemical shifts: electronic structure calculations address origins of seemingly anomalous19F-NMR spectra of fluorohistidine isomers and analogues
James Bann
Physical Chemistry Chemical Physics, 2015
View PDFchevron_right
Cluster Models and ab Initio Calculations of 19 F NMR Isotropic Chemical Shifts for Inorganic Fluorides
Jean-Yves Buzaré
The Journal of Physical Chemistry B, 2005
View PDFchevron_right
A survey of wave function effects on theoretical calculation of gas phase 19F NMR chemical shifts using factorial design
Hoora Shaghaghi
Journal of Fluorine Chemistry, 2010
View PDFchevron_right
A computational study of the possible isomers and conformations of N-trifluoromethylformamide, CF3NHC(O)H, and N-hydroxymethylidenetrifluoromethylamine, CF3NC(H)OH
Joseph Thrasher
Journal of Molecular Structure: THEOCHEM, 1993
View PDFchevron_right
19F NMR chemical shifts of n-F-alkyl compounds
Jean Riess
Journal of Fluorine Chemistry, 1977
View PDFchevron_right
Nuclear magnetic resonance and molecular orbital studies of the conformational preferences of the fluoromethyl group in some benzylfluoride derivatives
Kirk Marat
Canadian Journal of Chemistry, 1976
View PDFchevron_right
Methyl Formate and Its Mono and Difluoro Derivatives: Conformational Manifolds, Basicity, and Interaction with HF Theoretical Investigation
Eugene Kryachko
The Journal of Physical Chemistry A, 2011
View PDFchevron_right
Variable temperature NMR and theoretical study of the stereodynamics of 5-trifluoromethylsulfonyl-1,3,5-dioxaazinane: Perlin effect subject to heteroatom substitution
Dr. Andreas Koch
Tetrahedron, 2008
View PDFchevron_right
Effects of polymorphic differences for sulfanilamide, as seen through13C and15N solid-state NMR, together with shielding calculations
Robin Harris
Magnetic Resonance in Chemistry, 2004
View PDFchevron_right
Synthesis and structure of environmentally relevant perfluorinated sulfonamides
Hans-joachim Lehmler
Journal of Fluorine Chemistry, 2007
View PDFchevron_right
DFT studies of molecular structures conformers and vibrational characteristics of sulfanilamide
Rohit Kumar Yadav
Computational and Theoretical Chemistry, 2019
View PDFchevron_right
DFT based computational study on the molecular conformation, NMR chemical shifts and vibrational transitions for N-(2-methylphenyl) methanesulfonamide and N-(3-methylphenyl) methanesulfonamide
Mehmet ÇINAR
Journal of Molecular Structure, 2010
View PDFchevron_right
Solvent effects in fluorine-19 NMR spectroscopy: Nonuniform shifting of the axial and equatorial fluorine resonances of the pentafluorosulfanyl group
Joseph Thrasher
Journal of Fluorine Chemistry, 1984
View PDFchevron_right
IR and NMR spectral LFER study on 3-benzoicacid based sulfonamides
Ganesamoorthy Thirunarayanan
2016
View PDFchevron_right
Signs and mechanisms of 13 C, 19 F spin–spin coupling constants in benzotrifluoride and its derivatives
Kirk Marat
Canadian Journal of Chemistry, 1983
View PDFchevron_right
Experimental, SOPPA(CCSD), and DFT Analysis of Substitutent Effects on NMR 1JCF Coupling Constants in Fluorobenzene Derivatives
Horacio Contreras
The Journal of Physical Chemistry A, 2011
View PDFchevron_right
Conformational Analysis of Trans and CIS Isomers of N-Trifluoroacetyl-2-Methoxy-4-t. Butylpiperidine and N-Trifluoroacetyl-2-Methoxy-4-Methyl Piperidine
Frans Borremans
Bulletin des Sociétés Chimiques Belges, 1984
View PDFchevron_right
NMR parameters of the individual fluorines of the trifluoromethyl group
Walter Mahler
J Am Chem Soc, 1972
View PDFchevron_right
Proton, carbon-13 and fluorine-19 NMR studies ofN-alkyl-8-fluoroquinolinium halides: Relative signs of through-space1H19F and13C19F coupling constants
Gordon Gribble
Organic Magnetic Resonance, 1982
View PDFchevron_right
13C NMR studies of fluoroflavones
Emile GAYDOU
Magnetic Resonance in Chemistry, 1998
View PDFchevron_right
Multiple Pentafluorophenylation of 2,2,3,3,5,6,6-Heptafluoro-3,6-dihydro-2H-1,4-oxazine with an Organosilicon Reagent: NMR and DFT Structural Analysis of Oligo(perfluoroaryl) Compounds
Taizo ono
Helvetica Chimica Acta, 2006
View PDFchevron_right
Synthesis of chiral fluorine-tagged reference standards for the 19F NMR-based stereochemical analysis of sulfoxides at trace analytical levels
Peter Buist, Derek Hodgson
Bioorganic & Medicinal Chemistry Letters, 2009
View PDFchevron_right
Theoretical studies on sulfanilamide and derivatives with antibacterial activity: conformational and electronic analysis
Mario Arturo Lerma Estrada
Journal of Molecular Modeling, 2010
View PDFchevron_right
Substituent effects on sulfur-33 chemical shifts and nuclear quadrupole coupling constants in 4-substituted benzene sulfonates
Oronzo Sciacovelli
The Journal of Organic Chemistry, 1992
View PDFchevron_right
Long-range 13 C, 1 H and 13 C, 19 F coupling constants as indicators of the conformational properties of 4-fluoroanisole, 2,3,5,6-tetrafluoroanisole, and pentafluoroanisole
Reino Laatikainen
Canadian Journal of Chemistry, 1984
View PDFchevron_right
19F chemical shifts, coupling constants and conformational preferences in monosubstituted perfluoroparacyclophanes
Henry Martinez
Magnetic Resonance in Chemistry, 2011
View PDFchevron_right
Theoretical conformational study of 1,1,1-trifluoro-4-mercaptobut-
LEILA HOKMABADY
View PDFchevron_right
Solvent-induced shifts in NMR spectroscopy by a combination of benzene and trifluoroacetic acid as an aid to the structure elucidation of isoflavones
Virinder Parmar
Spectrochimica Acta Part A: Molecular Spectroscopy, 1983
View PDFchevron_right
NMR Spectral Analysis of Second-Order 19F-19F, 19F-1H and 13C-19F Coupling Constants in Pentafluorobenzene and Tetrafluoro-4-(morpholino)pyridine using ANATOLIA
Shahzad Riaz
Journal of Fluorine Chemistry, 2019
View PDFchevron_right