125 related articles for article (PubMed ID: 19787932)
1. Assessment of theoretical prediction of the NMR shielding tensor of 195PtClxBr(6-x)(2-) complexes by DFT calculations: experimental and computational results.
Fowe EP; Belser P; Daul C; Chermette H
Phys Chem Chem Phys; 2005 Apr; 7(8):1732-8. PubMed ID: 19787932
[TBL] [Abstract][Full Text] [Related]
2. 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.
Tsipis AC; Karapetsas IN
Dalton Trans; 2014 Apr; 43(14):5409-26. PubMed ID: 24519094
[TBL] [Abstract][Full Text] [Related]
3. A relativistic DFT methodology for calculating the structures and NMR chemical shifts of octahedral platinum and iridium complexes.
Vícha J; Patzschke M; Marek R
Phys Chem Chem Phys; 2013 May; 15(20):7740-54. PubMed ID: 23598437
[TBL] [Abstract][Full Text] [Related]
4. Spin-orbit effects on the
Alkan F; Dybowski C
Solid State Nucl Magn Reson; 2018 Nov; 95():6-11. PubMed ID: 30189330
[TBL] [Abstract][Full Text] [Related]
5.
Todisco S; Saielli G; Gallo V; Latronico M; Rizzuti A; Mastrorilli P
Dalton Trans; 2018 Jul; 47(27):8884-8891. PubMed ID: 29845184
[TBL] [Abstract][Full Text] [Related]
6. Prediction of (195) Pt NMR chemical shifts of dissolution products of H2 [Pt(OH)6 ] in nitric acid solutions by DFT methods: how important are the counter-ion effects?
Tsipis AC; Karapetsas IN
Magn Reson Chem; 2016 Aug; 54(8):656-64. PubMed ID: 26990565
[TBL] [Abstract][Full Text] [Related]
7. Nuclear magnetic resonance shielding constants and chemical shifts in linear 199Hg compounds: a comparison of three relativistic computational methods.
Arcisauskaite V; Melo JI; Hemmingsen L; Sauer SP
J Chem Phys; 2011 Jul; 135(4):044306. PubMed ID: 21806118
[TBL] [Abstract][Full Text] [Related]
8. Computational study and molecular orbital analysis of NMR shielding, spin-spin coupling, and electric field gradients of azido platinum complexes.
Sutter K; Autschbach J
J Am Chem Soc; 2012 Aug; 134(32):13374-85. PubMed ID: 22794134
[TBL] [Abstract][Full Text] [Related]
9. Towards the versatile DFT and MP2 computational schemes for 31P NMR chemical shifts taking into account relativistic corrections.
Fedorov SV; Rusakov YY; Krivdin LB
Magn Reson Chem; 2014 Nov; 52(11):699-710. PubMed ID: 25155415
[TBL] [Abstract][Full Text] [Related]
10. Solid-state NMR spectra and long intradimer bonds in the pi-[TCNE]22- dianion.
Strohmeier M; Barich DH; Grant DM; Miller JS; Pugmire RJ; Simons J
J Phys Chem A; 2006 Jun; 110(25):7962-9. PubMed ID: 16789786
[TBL] [Abstract][Full Text] [Related]
11. Toward an accurate determination of 195Pt chemical shifts by density functional computations: the importance of unspecific solvent effects and the dependence of Pt magnetic shielding constants on structural parameters.
Sterzel M; Autschbach J
Inorg Chem; 2006 Apr; 45(8):3316-24. PubMed ID: 16602791
[TBL] [Abstract][Full Text] [Related]
12. An NMR and relativistic DFT investigation of one-bond nuclear spin-spin coupling in solid triphenyl group-14 chlorides.
Willans MJ; Demko BA; Wasylishen RE
Phys Chem Chem Phys; 2006 Jun; 8(23):2733-43. PubMed ID: 16763706
[TBL] [Abstract][Full Text] [Related]
13. Implementation of a hybrid DFT method for calculating NMR shieldings using Slater-type orbitals with spin-orbital coupling included. Applications to 187Os, 195Pt, and 13C in heavy-metal complexes.
Krykunov M; Ziegler T; van Lenthe E
J Phys Chem A; 2009 Oct; 113(43):11495-500. PubMed ID: 19731903
[TBL] [Abstract][Full Text] [Related]
14. Predicting Pt-195 NMR chemical shift using new relativistic all-electron basis set.
Paschoal D; Guerra CF; de Oliveira MA; Ramalho TC; Dos Santos HF
J Comput Chem; 2016 Oct; 37(26):2360-73. PubMed ID: 27510431
[TBL] [Abstract][Full Text] [Related]
15. Platinum-modified adenines: unprecedented protonation behavior revealed by NMR spectroscopy and relativistic density-functional theory calculations.
Vícha J; Demo G; Marek R
Inorg Chem; 2012 Feb; 51(3):1371-9. PubMed ID: 22260420
[TBL] [Abstract][Full Text] [Related]
16. Towards the accurate calculation of 183W NMR chemical shifts in polyoxometalates: the relevance of the structure.
Vilà-Nadal L; Sarasa JP; Rodríguez-Fortea A; Igual J; Kazansky LP; Poblet JM
Chem Asian J; 2010 Jan; 5(1):97-104. PubMed ID: 19967735
[TBL] [Abstract][Full Text] [Related]
17. NMR and DFT analysis of trisaccharide from heparin repeating sequence.
Hricovíni M; Driguez PA; Malkina OL
J Phys Chem B; 2014 Oct; 118(41):11931-42. PubMed ID: 25254635
[TBL] [Abstract][Full Text] [Related]
18. DFT study of the NMR properties of xenon in covalent compounds and van der waals complexes-implications for the use of 129Xe as a molecular probe.
Bagno A; Saielli G
Chemistry; 2003 Apr; 9(7):1486-95. PubMed ID: 12658645
[TBL] [Abstract][Full Text] [Related]
19. Relativistic effect on 77Se NMR chemical shifts of various selenium species in the framework of zeroth-order regular approximation.
Nakanishi W; Hayashi S; Katsura Y; Hada M
J Phys Chem A; 2011 Aug; 115(31):8721-30. PubMed ID: 21710994
[TBL] [Abstract][Full Text] [Related]
20. A comparison of experimental and DFT calculations of ¹⁹⁵Pt NMR shielding trends for [PtX(n)Y(6-n)](2-) (X, Y = Cl, Br, F and I) anions.
Burger MR; Kramer J; Chermette H; Koch KR
Magn Reson Chem; 2010 Dec; 48 Suppl 1():S38-47. PubMed ID: 21104761
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]