Relative importance of first and second derivatives of nuclear magnetic resonance chemical shifts and spin-spin coupling constants for vibrational averaging.

Relative importance of first and second derivatives of nuclear magnetic resonance chemical shifts and spin-spin coupling constants for vibrational averaging.

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http://www.wikidata.org/entity/Q39996259
Improved Peak Detection and Deconvolution of Native Electrospray Mass Spectra from Large Protein Complexes.Implementation and validation of a multi-purpose virtual spectrometer for large systems in complex environments.Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations.Fullerene C70 characterization by 13C NMR and the importance of the solvent and dynamics in spectral simulations.13C GIAO DFT calculation as a tool for configuration prediction of N-O group in saturated heterocyclic N-oxides.A second-order perturbation theory route to vibrational averages and transition properties of molecules: general formulation and application to infrared and vibrational circular dichroism spectroscopies.Vibrational averaging of the chemical shift in crystalline α-glycine.Temperature effects in first-principles solid state calculations of the chemical shielding tensor made simple.Transferability of anharmonic force fields in simulations of molecular vibrations.The observed and calculated 1H and 13C chemical shifts of tertiary amines and their N-oxides.Dihydrogen contacts observed by through-space indirect NMR coupling
P2860

Relative importance of first and second derivatives of nuclear magnetic resonance chemical shifts and spin-spin coupling constants for vibrational averaging.

Item
http://www.wikidata.org/entity/Q39996259
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2009 nî lūn-bûn
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2009年の論文
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2009年学术文章
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2009年学术文章
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2009年学术文章
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2009年学术文章
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name
Relative importance of first a ...... nts for vibrational averaging.
@en
Relative importance of first a ...... nts for vibrational averaging.
@nl
type
label
Relative importance of first a ...... nts for vibrational averaging.
@en
Relative importance of first a ...... nts for vibrational averaging.
@nl
prefLabel
Relative importance of first a ...... nts for vibrational averaging.
@en
Relative importance of first a ...... nts for vibrational averaging.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698
P356
P1433
P1476
Relative importance of first a ...... ants for vibrational averaging
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698