Tautomeric equilibria in relation to pi-electron delocalization
ED Raczyńska, W Kosińska, B Ośmiałowski… - Chemical …, 2005 - ACS Publications
Tautomerism, a particular case of isomerism, plays an important role in modern organic
chemistry, biochemistry, medicinal chemistry, pharmacology, molecular biology, and life …
chemistry, biochemistry, medicinal chemistry, pharmacology, molecular biology, and life …
Zero-field nuclear magnetic resonance
DP Weitekamp, A Bielecki, D Zax, K Zilm, A Pines - Physical review letters, 1983 - APS
In polycrystalline samples, NMR" powder spectra" are broad and much structural information
is lost as a result of the orientational disorder. In this Letter Fourier-transform NMR in zero …
is lost as a result of the orientational disorder. In this Letter Fourier-transform NMR in zero …
Zero field NMR and NQR
DB Zax, A Bielecki, KW Zilm, A Pines… - The Journal of chemical …, 1985 - pubs.aip.org
Methods are described and demonstrated for detecting the coherent evolution of nuclear
spin observables in zero magnetic field with the full sensitivity of high field NMR. The …
spin observables in zero magnetic field with the full sensitivity of high field NMR. The …
Direct investigation of halogen bonds by solid-state multinuclear magnetic resonance spectroscopy and molecular orbital analysis
J Viger-Gravel, S Leclerc, I Korobkov… - Journal of the American …, 2014 - ACS Publications
Noncovalent interactions play a ubiquitous role in the structure, stability, and reactivity of a
wide range of molecular and ionic cocrystals, pharmaceuticals, materials, and biomolecules …
wide range of molecular and ionic cocrystals, pharmaceuticals, materials, and biomolecules …
Proton probability distribution in the O··· H··· O low-barrier hydrogen bond: A combined solid-state NMR and quantum chemical computational study of …
X Kong, A Brinkmann, V Terskikh… - The Journal of …, 2016 - ACS Publications
We report a combined solid-state (1H, 2H, 13C, 17O) NMR and plane-wave density
functional theory (DFT) computational study of the O··· H··· O low-barrier hydrogen bonds …
functional theory (DFT) computational study of the O··· H··· O low-barrier hydrogen bonds …
Molecular structure and dynamics of crystalline p-fluoro-D, L-phenylalanine. A combined x-ray/NMR investigation
Y Hiyama, JV Silverton, DA Torchia… - Journal of the …, 1986 - ACS Publications
We report the molecular structure and phenyl-ring dynamics of crystalline p-fluoro-D, L-[2, 3,
5, 6-2* H4] phenylalanine. Crystals of this molecule have space group P\and unit cell …
5, 6-2* H4] phenylalanine. Crystals of this molecule have space group P\and unit cell …
Proton Chemical Shift Tensors and Hydrogen Bond Geometry: A 1H−2H Dipolar NMR Study of the Water Molecule in Crystalline Hydrates
G Wu, CJ Freure, E Verdurand - Journal of the American Chemical …, 1998 - ACS Publications
We report a 1H− 2H dipolar NMR study of the water molecule in magnetically 1H dilute
crystalline hydrates. From the spectra obtained at two different magnetic fields, 1H chemical …
crystalline hydrates. From the spectra obtained at two different magnetic fields, 1H chemical …
DFT and ab initio study of structure of dyes derived from 2-hydroxy and 2, 4-dihydroxy benzoic acids
HA Dabbagh, A Teimouri, AN Chermahini… - … Acta Part A: Molecular …, 2008 - Elsevier
We present a detailed analysis of the structural, infrared spectra and visible spectra of a
series of azo dyes preparation of salicylic acid and 2, 4-dihydroxy benzoic acid derivatives …
series of azo dyes preparation of salicylic acid and 2, 4-dihydroxy benzoic acid derivatives …
Zero‐field NMR and NQR spectrometer
A Bielecki, DB Zax, KW Zilm, A Pines - Review of scientific instruments, 1986 - pubs.aip.org
In comparison to high‐field NMR, zero‐field techniques offer advantages in terms of spectral
interpretability in studies of polycrystalline or amorphous solids. This article describes a …
interpretability in studies of polycrystalline or amorphous solids. This article describes a …
Polymorphism of naphthazarin and its relation to solid-state proton transfer. Neutron and X-ray diffraction studies on naphthazarin C
FH Herbstein, M Kapon, GM Reisner… - … of the Royal …, 1985 - royalsocietypublishing.org
The crystal structure of naphthazarin C has been determined by neutron diffraction at 60 and
300 K (λ═ 0.895 Å; 1 Å═ 10-10 m═ 10-1 nm) and X-ray diffraction at 300 K. The space …
300 K (λ═ 0.895 Å; 1 Å═ 10-10 m═ 10-1 nm) and X-ray diffraction at 300 K. The space …