Nuclear magnetic shielding and quadrupole coupling tensors in liquid water: a combined molecular dynamics simulation and quantum chemical study.

Nuclear magnetic shielding and quadrupole coupling tensors in liquid water: a combined molecular dynamics simulation and quantum chemical study.

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http://www.wikidata.org/entity/Q33206276
Curie-type paramagnetic NMR relaxation in the aqueous solution of Ni(II).Covalency of hydrogen bonds in liquid water can be probed by proton nuclear magnetic resonance experiments.Water dynamics on ice and hydrate lattices studied by second-order central-line stimulated-echo oxygen-17 nuclear magnetic resonance.17O nuclear quadrupole coupling constants of water bound to a metal ion: a gadolinium(III) case study.Correlation of hydrogen bond lengths and angles in liquid water based on Compton scattering.Nuclear magnetic shielding constants of liquid water: insights from hybrid quantum mechanics/molecular mechanics models.Nuclear spin optical rotation and Faraday effect in gaseous and liquid water.Ab initio calculations of NMR chemical shifts.(1)H NMR spectra of alcohols in hydrogen bonding solvents: DFT/GIAO calculations of chemical shifts.(51)V NMR parameters of VOCl(3): static and dynamic density functional study from the gas phase to the bulk.Dynamical effects on the magnetic properties of dithiazolyl bistable materials† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c4sc03930k Click here for additional data file.Dynamical effects on the magnetic properties of dithiazolyl bistable materials.Chemical distinction by nuclear spin optical rotation.Rotational dynamics of water molecules near biological surfaces with implications for nuclear quadrupole relaxation.Al3+, Ca2+, Mg2+, and Li+ in aqueous solution: calculated first-shell anharmonic OH vibrations at 300 K.Approaches to the solvation of the molecular probe N-methyl-6-quinolone in its excited state.
P2860

Nuclear magnetic shielding and quadrupole coupling tensors in liquid water: a combined molecular dynamics simulation and quantum chemical study.

Item
http://www.wikidata.org/entity/Q33206276
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2004 nî lūn-bûn
@nan
2004 թուականի Սեպտեմբերին հրատարակուած գիտական յօդուած
@hyw
2004 թվականի սեպտեմբերին հրատարակված գիտական հոդված
@hy
2004年の論文
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2004年論文
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2004年論文
@zh-hant
2004年論文
@zh-hk
2004年論文
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2004年論文
@zh-tw
2004年论文
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name
Nuclear magnetic shielding and ...... on and quantum chemical study.
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Nuclear magnetic shielding and ...... on and quantum chemical study.
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type
label
Nuclear magnetic shielding and ...... on and quantum chemical study.
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Nuclear magnetic shielding and ...... on and quantum chemical study.
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prefLabel
Nuclear magnetic shielding and ...... on and quantum chemical study.
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Nuclear magnetic shielding and ...... on and quantum chemical study.
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P1433
P1476
P2093
P304
P31
P356
P407
P433
P478
P50
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P698
P921
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P1433
P1476
Nuclear magnetic shielding and ...... on and quantum chemical study.
@en
P2093
P304
P31
P356
P407
P433
P478
P50
P577
P698
P921