Detalhe da pesquisa
1.
Ab Initio Calculation of UV-vis Absorption of Parent Mg, Fe, Co, Ni, Cu, and Zn Metalloporphyrins.
Inorg Chem
; 63(22): 10127-10142, 2024 Jun 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-38770816
2.
Singlet Fission Rate: Optimized Packing of a Molecular Pair. Ethylene as a Model.
J Am Chem Soc
; 141(44): 17729-17743, 2019 Nov 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-31509712
3.
Structure and photophysics of indigoids for singlet fission: Cibalackrot.
J Chem Phys
; 151(18): 184903, 2019 Nov 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-31731849
4.
Tribute to Josef Michl.
J Phys Chem A
; 125(9): 1801, 2021 Mar 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-33691414
5.
Electronic Spectra of the Tetraphenylcyclobutadienecyclopentadienylnickel(II) Cation and Radical.
J Phys Chem A
; 120(20): 3456-62, 2016 May 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-27136127
6.
Excitation Localization/Delocalization Isomerism in a Strongly Coupled Covalent Dimer of 1,3-Diphenylisobenzofuran.
J Phys Chem A
; 120(20): 3473-83, 2016 May 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-27158903
7.
Captodatively stabilized biradicaloids as chromophores for singlet fission.
J Am Chem Soc
; 137(1): 165-72, 2015 Jan 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-25478747
8.
Inverse Design of Tetracene Polymorphs with Enhanced Singlet Fission Performance by Property-Based Genetic Algorithm Optimization.
Chem Mater
; 35(3): 1373-1386, 2023 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-36999121
9.
Search for a small chromophore with efficient singlet fission: biradicaloid heterocycles.
J Am Chem Soc
; 134(35): 14624-31, 2012 Sep 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-22876879
10.
HCB11(CF3)(n)F(11-n)-: inert anions with high anodic oxidation potentials.
J Am Chem Soc
; 133(11): 4123-31, 2011 Mar 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-21341661
11.
Toward designed singlet fission: electronic states and photophysics of 1,3-diphenylisobenzofuran.
J Phys Chem A
; 114(3): 1457-73, 2010 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-20025258
12.
Molecular Packing and Singlet Fission: The Parent and Three Fluorinated 1,3-Diphenylisobenzofurans.
J Phys Chem Lett
; 10(8): 1947-1953, 2019 Apr 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-30883125
13.
An MS-CASPT2 Calculation of the Excited Electronic States of an Axial Difluoroborondipyrromethene (BODIPY) Dimer.
J Chem Theory Comput
; 14(8): 4291-4297, 2018 Aug 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-29874458
14.
Investigation of the acid-base and electromigration properties of 5-azacytosine derivatives using capillary electrophoresis and density functional theory calculations.
J Chromatogr A
; 1479: 185-193, 2017 Jan 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-27919519
15.
Single-Step Formation of Pyrimido[4,5-d]pyridazines by a Pyrimidine-Tetrazine Tandem Reaction.
Org Lett
; 18(15): 3594-7, 2016 08 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-27391276
16.
Sexual attraction in the silkworm moth. Nature of binding of bombykol in pheromone binding protein--an ab initio study.
Chem Biol
; 10(4): 331-40, 2003 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-12725861
17.
Long-Range NâSi Interactions in Organosilicon Compounds with Hepta- and Octacoordinate Silicon Centers.
Angew Chem Int Ed Engl
; 37(22): 3163-3166, 1998 Dec 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-29711332
18.
Tris(tetramethylethylenediamine-sodium)-9,9-bianthryl-The Salt of a π Hydrocarbon Radical Trianion with Three Na+ -Cπ Contacts to One Molecular Half.
Angew Chem Int Ed Engl
; 37(4): 502-504, 1998 Mar 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-29711168
19.
The Loss of a Prominent Scientist: Detlef Schröder.
Chempluschem
; 78(9): 887-889, 2013 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-31986745
20.
Toward designed singlet fission: solution photophysics of two indirectly coupled covalent dimers of 1,3-diphenylisobenzofuran.
J Phys Chem B
; 117(16): 4680-95, 2013 Apr 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-23383860