Zobrazeno 1 - 10
of 2 731
pro vyhledávání: '"Non-bonding orbital"'
Publikováno v:
Physical Chemistry Chemical Physics. 23:1414-1423
Isolating and identifying the conformational forms of molecules are imperative processes to investigate the chemical reaction pathways of individual conformers. Herein, we explored the conformational structures of tetrahydropyran in the neutral (S0)
Autor:
Cláudio F. Tormena, Renan V. Viesser
Publikováno v:
Physical Chemistry Chemical Physics. 23:3019-3030
Halogens cause pronounced and systematic effects on the 13C NMR chemical shift (δ13C) of an adjacent carbon nucleus, usually leading to a decrease in the values across the halogen series. Although this normal halogen dependence (NHD) is known in org
Publikováno v:
Chemistry – A European Journal. 26:7124-7130
The weak fluorescence (quantum yield
Publikováno v:
Physical Chemistry Chemical Physics. 22:27673-27680
Ring conformations of 3,4-dihydro-2H-pyran (34DHP) have attracted considerable interest owing to their structural similarity to cyclohexene, an important molecule in stereochemistry. In this study, we investigated the conformational interconversion o
Publikováno v:
The journal of physical chemistry. B. 125(41)
Protonation of the strong base methylamine CH3NH2 by carbonic acid H2CO3 in aqueous solution, HOCOOH···NH2CH3 → HOCOO-···+HNH2CH3, has been previously studied ( J. Phys. Chem. B 2016, 109, 2271-2280; J. Phys. Chem. B 2016, 109, 2281-2290) via
Publikováno v:
The Journal of Physical Chemistry A. 123:5945-5950
Barrierless intermolecular proton transfer from a CH bond has recently been reported in the vertical ionization of the trimethyl amine (TMA) dimer. This result indicates the remarkable enhancement of the proton-donating ability of the CH bond in its
Publikováno v:
Dalton Transactions. 48:1427-1435
The tris(aminophenol) ligand tris(4-methyl-2-(3',5'-di-tert-butyl-2'-hydroxyphenylamino)phenyl)amine, MeClampH6, reacts with Ti(OiPr)4 to give, after exposure to air, the dark purple, neutral, diamagnetic complex (MeClamp)Ti. The compound is six-coor
Autor:
Peter Bäuerle, Martina Corso, Roberto Robles, Zechao Yang, Katharina J. Franke, Roland Fitzner, Elena Mena-Osteritz, Jose Ignacio Pascual, Christian Lotze
Publikováno v:
Recercat. Dipósit de la Recerca de Catalunya
instname
Digital.CSIC. Repositorio Institucional del CSIC
Recercat: Dipósit de la Recerca de Catalunya
Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Dipòsit Digital de Documents de la UAB
Universitat Autònoma de Barcelona
instname
Digital.CSIC. Repositorio Institucional del CSIC
Recercat: Dipósit de la Recerca de Catalunya
Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Dipòsit Digital de Documents de la UAB
Universitat Autònoma de Barcelona
Dicyanovinyl-quinquethiophene (DCV5T-Me2) is a prototype conjugated oligomer for highly efficient organic solar cells. This class of oligothiophenes are built up by an electron-rich donor (D) backbone and terminal electron-deficient acceptor (A) moie
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1959c08cd9b475a06c258fb12909853f
http://hdl.handle.net/2072/441702
http://hdl.handle.net/2072/441702
Autor:
Lucjan Piela
What electrons are doing in molecules (at fixed positions of the nuclei) is described by their wave function – a solution to the Schrodinger equation. This equation however cannot be solved analytically. To obtain an approximate wave function the v
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ab8a01e03e9b79853bde9d03ec2e4999
https://doi.org/10.1016/b978-0-44-464246-2.00016-1
https://doi.org/10.1016/b978-0-44-464246-2.00016-1
Autor:
Tian Xue, Zheyue Yang, Sven Oesterling, Kirsten Schnorr, Regina de Vivie-Riedle, Stephen R. Leone, Aditi Bhattacherjee
Publikováno v:
Journal of the American Chemical Society. 140:12538-12544
The ultraviolet-induced photochemistry of five-membered heterocyclic rings often involves ring opening as a prominent excited-state relaxation pathway. The identification of this particular photoinduced mechanism, however, presents a challenge for ma