Detalhe da pesquisa
1.
A Fischer-Type Ruthenium Carbene Complex as a Metathesis Catalyst for the Synthesis of Enol Ethers.
J Org Chem
; 86(24): 17629-17639, 2021 Dec 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-34846148
2.
Frozen-mode small polaron quantum master equation with variational bound for excitation energy transfer in molecular aggregates.
J Chem Phys
; 150(22): 224110, 2019 Jun 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-31202234
3.
Band Structures of Quasi-One-Dimensional Incommensurate Helical Systems: A Case Study of Infinite Chromium Extended Metal Atom Chain.
J Phys Chem A
; 122(47): 9199-9208, 2018 Nov 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-30444123
4.
A simple molecular orbital treatment of current distributions in quantum transport through molecular junctions.
J Chem Phys
; 147(19): 194106, 2017 Nov 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-29166108
5.
Theory of charge transport in molecular junctions: Role of electron correlation.
J Chem Phys
; 146(13): 134113, 2017 Apr 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-28390389
6.
Hexahalogenated and their mixed benzene derivatives as prototypes for the understanding of halogen···halogen intramolecular interactions: New insights from combined DFT, QTAIM-, and RDG-based NCI analyses.
J Comput Chem
; 36(31): 2328-43, 2015 Dec 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-26505258
7.
Unusual bonding modes of perfluorobenzene in its polymeric (dimeric, trimeric and tetrameric) forms: entirely negative fluorine interacting cooperatively with entirely negative fluorine.
Phys Chem Chem Phys
; 17(47): 31624-45, 2015 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-26426370
8.
Ligand(s)-to-metal charge transfer as a factor controlling the equilibrium constants of late first-row transition metal complexes: revealing the Irving-Williams thermodynamical series.
Phys Chem Chem Phys
; 17(2): 805-11, 2015 Jan 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-25414118
9.
Energy-Level Alignment for Single-Molecule Conductance of Extended Metal-Atom Chains.
Angew Chem Int Ed Engl
; 54(52): 15734-8, 2015 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-26546238
10.
Halogen bonding interaction of chloromethane with several nitrogen donating molecules: addressing the nature of the chlorine surface σ-hole.
Phys Chem Chem Phys
; 16(36): 19573-89, 2014 Sep 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-25105428
11.
Significant evidence of C···O and C···C long-range contacts in several heterodimeric complexes of CO with CH3-X, should one refer to them as carbon and dicarbon bonds!
Phys Chem Chem Phys
; 16(32): 17238-52, 2014 Aug 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-25017184
12.
Theory of charge transport in molecular junctions: from Coulomb blockade to coherent tunneling.
J Chem Phys
; 141(6): 064111, 2014 Aug 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-25134555
13.
Correspondence between Gentile oscillators and N-annulenes.
J Phys Chem A
; 117(47): 12540-5, 2013 Nov 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-24160638
14.
Correlation effects of π electrons on the band structures of conjugated polymers using the self-consistent GW approximation with vertex corrections.
J Chem Phys
; 136(2): 024110, 2012 Jan 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-22260567
15.
Interchain interactions in organic conjugated dimers: a composite-molecule approach.
J Phys Chem A
; 114(8): 2885-92, 2010 Mar 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-20143839
16.
Transport through a mixed-valence molecular transistor in the sequential-tunneling regime: Theoretical insight from the two-site Peierls-Hubbard model.
J Chem Phys
; 133(14): 144705, 2010 Oct 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-20950028
17.
The synthesis and magnetic properties of a linear mixed-valence [Ni3]5+ in an anthyridine tri-nickel complex.
Dalton Trans
; 48(27): 9912-9915, 2019 Jul 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-31233062
18.
One-handed helical double stranded polybisnorbornenes.
Chem Commun (Camb)
; (46): 6158-60, 2008 Dec 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-19082105
19.
Three-dimensional through-space/through-bond delocalization in cyclophane systems: a molecule-in-molecule approach.
J Phys Chem A
; 112(13): 2948-54, 2008 Apr 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-18302348
20.
Nonhelical heterometallic [Mo2M(npo)4(NCS)2] string complexes (M = Fe, Co, Ni) with high single-molecule conductance.
Chem Commun (Camb)
; 53(63): 8886-8889, 2017 Aug 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-28737805