Detalhe da pesquisa
1.
DFT-Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe2 by Differential Phase Contrast Imaging.
Small
; : e2311635, 2024 May 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-38703033
2.
Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface.
Phys Rev Lett
; 132(7): 076201, 2024 Feb 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-38427899
3.
Electron-Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized VB- Spin States in hBN.
Nano Lett
; 22(7): 2718-2724, 2022 Apr 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-35357842
4.
Adatom mediated adsorption of N-heterocyclic carbenes on Cu(111) and Au(111).
J Comput Chem
; 43(6): 413-420, 2022 Mar 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-34967459
5.
Spin Polarization, Electron-Phonon Coupling, and Zero-Phonon Line of the NV Center in 3C-SiC.
Nano Lett
; 21(19): 8119-8125, 2021 Oct 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-34581585
6.
Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon.
Langmuir
; 36(31): 9099-9113, 2020 Aug 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-32659091
7.
Electron paramagnetic resonance study of ferroelectric phase transition and dynamic effects in a Mn2+ doped [NH4][Zn(HCOO)3] hybrid formate framework.
Phys Chem Chem Phys
; 22(16): 8513-8521, 2020 Apr 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-32301462
8.
Impact of finite-temperature and condensed-phase effects on theoretical X-ray absorption spectra of transition metal complexes.
J Comput Chem
; 2018 Oct 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-30306614
9.
Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) - (4 × 1) phase transition.
J Comput Chem
; 38(26): 2276-2282, 2017 10 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-28718945
10.
[Cu6 (NGuaS)6 ]2+ and its oxidized and reduced derivatives: Confining electrons on a torus.
J Comput Chem
; 38(20): 1752-1761, 2017 07 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-28394037
11.
Optical response of the Cu2 S2 diamond core in Cu2II(NGuaS)2 Cl2.
J Comput Chem
; 37(24): 2181-92, 2016 09 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-27362786
12.
Experimental and Theoretical High-Energy-Resolution X-ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State.
Inorg Chem
; 55(22): 11694-11706, 2016 Nov 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-27813403
13.
Electrically detected electron-spin-echo envelope modulation: a highly sensitive technique for resolving complex interface structures.
Phys Rev Lett
; 106(19): 196101, 2011 May 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-21668174
14.
Controlled growth of ordered monolayers of N-heterocyclic carbenes on silicon.
Nat Chem
; 13(9): 828-835, 2021 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-34155377
15.
Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory.
ACS Omega
; 5(37): 24057-24063, 2020 Sep 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-32984727
16.
Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures.
J Phys Chem C Nanomater Interfaces
; 124(11): 6090-6102, 2020 Mar 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-32952768
17.
A photoredox catalysed Heck reaction via hole transfer from a Ru(ii)-bis(terpyridine) complex to graphene oxide.
RSC Adv
; 10(70): 42930-42937, 2020 Nov 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-35514879
18.
Unraveling the Oxidation and Spin State of Mn-Corrole through X-ray Spectroscopy and Quantum Chemical Analysis.
J Phys Chem Lett
; 9(22): 6412-6420, 2018 Nov 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-30362761
19.
On-Surface Site-Selective Cyclization of Corrole Radicals.
ACS Nano
; 11(3): 3383-3391, 2017 03 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-28212484
20.
Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles.
J Phys Chem B
; 120(24): 5572-80, 2016 06 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-27245400