Probing the solvent shell with 195Pt chemical shifts: density functional theory molecular dynamics study of Pt(II) and Pt(IV) anionic complexes in aqueous solution.
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NMR J-coupling constants in cisplatin derivatives studied by molecular dynamics and relativistic DFT.(35/37)Cl and (16/18)O isotope resolved 195Pt NMR: unique spectroscopic 'fingerprints' for unambiguous speciation of [PtCl(n)(H2O)(6-n)](4-n) (n = 2-5) complexes in an acidic aqueous solution.(51)V NMR parameters of VOCl(3): static and dynamic density functional study from the gas phase to the bulk.Accurate prediction of 195Pt NMR chemical shifts for a series of Pt(II) and Pt(IV) antitumor agents by a non-relativistic DFT computational protocol.Calculation of chemical-shift tensors of heavy nuclei: a DFT/ZORA investigation of ¹⁹⁹Hg chemical-shift tensors in solids, and the effects of cluster size and electronic-state approximations.Solution dynamics of agostic interactions in T-shaped Pt(ii) complexes from ab initio molecular dynamics simulationsDo Metal⋅⋅⋅Water Hydrogen Bonds Hold in Solution? Insight from Ab Initio Molecular Dynamics Simulations
P2860
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P2860
Probing the solvent shell with 195Pt chemical shifts: density functional theory molecular dynamics study of Pt(II) and Pt(IV) anionic complexes in aqueous solution.
description
2010 nî lūn-bûn
@nan
2010 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2010 թվականի մարտին հրատարակված գիտական հոդված
@hy
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
name
Probing the solvent shell with ...... molecular dynamics study of Pt
@nl
Probing the solvent shell with ...... complexes in aqueous solution.
@ast
Probing the solvent shell with ...... complexes in aqueous solution.
@en
type
label
Probing the solvent shell with ...... molecular dynamics study of Pt
@nl
Probing the solvent shell with ...... complexes in aqueous solution.
@ast
Probing the solvent shell with ...... complexes in aqueous solution.
@en
prefLabel
Probing the solvent shell with ...... molecular dynamics study of Pt
@nl
Probing the solvent shell with ...... complexes in aqueous solution.
@ast
Probing the solvent shell with ...... complexes in aqueous solution.
@en
P356
P1476
Probing the solvent shell with ...... complexes in aqueous solution.
@en
P2093
Lionel A Truflandier
P304
P356
10.1021/JA9096863
P407
P577
2010-03-01T00:00:00Z