New perspectives in the PAW/GIPAW approach: J(P-O-Si) coupling constants, antisymmetric parts of shift tensors and NQR predictions.
about
Solid-state NMR study on changes of phosphate and proton species in metal pyrophosphate composite (MP2 O7 -MO2 ) ceramics.A 13C solid-state NMR investigation of four cocrystals of caffeine and theophylline.Temperature dependence of X-ray absorption and nuclear magnetic resonance spectra: probing quantum vibrations of light elements in oxides.Relativistic nuclear magnetic resonance J-coupling with ultrasoft pseudopotentials and the zeroth-order regular approximation.14N NQR lineshape in nanocrystals: An ab initio investigation of urea.Towards homonuclear J solid-state NMR correlation experiments for half-integer quadrupolar nuclei: experimental and simulated 11B MAS spin-echo dephasing and calculated 2J(BB) coupling constants for lithium diborateNMR parameters in alkali, alkaline earth and rare earth fluorides from first principle calculationsStructural study of calcium phosphonates: a combined synchrotron powder diffraction, solid-state NMR and first-principle calculations approachWhewellite, CaC2O4⋅H2O: structural study by a combined NMR, crystallography and modelling approachHigh-resolution solid state NMR experiments for the characterization of calcium phosphate biomaterials and biomineralsSi NMR Chemical Shifts in Crystalline and Amorphous Silicon Nitrides
P2860
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P2860
New perspectives in the PAW/GIPAW approach: J(P-O-Si) coupling constants, antisymmetric parts of shift tensors and NQR predictions.
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2010 nî lūn-bûn
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2010年の論文
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2010年学术文章
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2010年学术文章
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2010年学术文章
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2010年学术文章
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2010年学术文章
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name
New perspectives in the PAW/GI ...... t tensors and NQR predictions.
@en
New perspectives in the PAW/GI ...... t tensors and NQR predictions.
@nl
type
label
New perspectives in the PAW/GI ...... t tensors and NQR predictions.
@en
New perspectives in the PAW/GI ...... t tensors and NQR predictions.
@nl
prefLabel
New perspectives in the PAW/GI ...... t tensors and NQR predictions.
@en
New perspectives in the PAW/GI ...... t tensors and NQR predictions.
@nl
P2093
P50
P356
P1476
New perspectives in the PAW/GI ...... ft tensors and NQR predictions
@en
P2093
Chris J Pickard
Daniel Canet
Jonathan R Yates
Laure Bonhomme-Coury
Siân A Joyce
P304
P356
10.1002/MRC.2635
P478
48 Suppl 1
P50
P577
2010-12-01T00:00:00Z