Detalhe da pesquisa
1.
Gating the conductance of extended metal atom chains: a computational analysis of Ru3(dpa)4(NCS)2 and [Ru3(npa)4(NCS)2].
Phys Chem Chem Phys
; 23(27): 14836-14844, 2021 Jul 14.
Artigo
Inglês
| MEDLINE | ID: mdl-34212973
2.
Quantum chemical models for the absorption of endohedral clusters on Si(111)-(7 × 7): a subtle balance between W-Si and Si-Si bonding.
Phys Chem Chem Phys
; 21(25): 13686-13695, 2019 Jun 26.
Artigo
Inglês
| MEDLINE | ID: mdl-31197295
3.
Redox-Dependent Metal-Metal Bonding in Trinuclear Metal Chains: Probing the Transition from Covalent Bonding to Exchange Coupling.
Chemistry
; 24(20): 5309-5318, 2018 Apr 06.
Artigo
Inglês
| MEDLINE | ID: mdl-29131932
4.
Biradical character in the ground state of [Mn@Si12](+): a DFT and CASPT2 study.
Phys Chem Chem Phys
; 18(34): 24006-14, 2016 Sep 14.
Artigo
Inglês
| MEDLINE | ID: mdl-27524177
5.
Billion-fold enhancement in sensitivity of nuclear magnetic resonance spectroscopy for magnesium ions in solution.
Chemphyschem
; 15(18): 3929-32, 2014 Dec 15.
Artigo
Inglês
| MEDLINE | ID: mdl-25303164
6.
Computational assignment of redox states to Coulomb blockade diamonds.
Phys Chem Chem Phys
; 16(33): 17473-8, 2014 Sep 07.
Artigo
Inglês
| MEDLINE | ID: mdl-25020007
7.
Application of 204mPb perturbed angular correlation of γ-rays spectroscopy in coordination chemistry.
Inorg Chem
; 51(4): 1992-4, 2012 Feb 20.
Artigo
Inglês
| MEDLINE | ID: mdl-22300368
8.
Electric field gradients in Hg compounds: molecular orbital (MO) analysis and comparison of 4-component and 2-component (ZORA) methods.
Phys Chem Chem Phys
; 14(46): 16070-9, 2012 Dec 14.
Artigo
Inglês
| MEDLINE | ID: mdl-23111689
9.
Fully relativistic coupled cluster and DFT study of electric field gradients at Hg in 199Hg compounds.
Phys Chem Chem Phys
; 14(8): 2651-7, 2012 Feb 28.
Artigo
Inglês
| MEDLINE | ID: mdl-22258427
10.
Nuclear magnetic resonance shielding constants and chemical shifts in linear 199Hg compounds: a comparison of three relativistic computational methods.
J Chem Phys
; 135(4): 044306, 2011 Jul 28.
Artigo
Inglês
| MEDLINE | ID: mdl-21806118
11.
The structural landscape in 14-vertex clusters of silicon, M@Si14: when two bonding paradigms collide.
Dalton Trans
; 46(35): 11636-11644, 2017 Sep 12.
Artigo
Inglês
| MEDLINE | ID: mdl-28832066
12.
The role of π-blocking hydride ligands in a pressure-induced insulator-to-metal phase transition in SrVO2H.
Nat Commun
; 8(1): 1217, 2017 10 31.
Artigo
Inglês
| MEDLINE | ID: mdl-29089516