Zobrazeno 1 - 10
of 208
pro vyhledávání: '"Tamás Veszprémi"'
Autor:
Tamás Veszprémi, Tibor Szilvási
Publikováno v:
Structural Chemistry. 26:1335-1342
We explored the possible reaction of three model carbenes and two model silylenes with white phosphorus leading to insertion, bis-adduct, and tris-adduct products. The energetics of the calculated mechanisms are in accordance with the experimental ob
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::18a8499ae9af02f44c91ea1378a38a56
https://doi.org/10.1007/s11224-015-0668-7
https://doi.org/10.1007/s11224-015-0668-7
Publikováno v:
Journal of Organometallic Chemistry. 783:22-27
Reaction of free dineopentyl-benzimidazoline-2-ylidene 1 (ligand: np 2 bimy) with (η 3 -cycloheptatriene)Mo(CO) 3 , molar ratio 3:1, provides the coordinatively unsaturated lateral -(np 2 bimy) 2 Mo(CO) 3 complex 2 . Crystal structure analysis of 2
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8ab1e25380833ac92914467c0a0a9b0d
https://doi.org/10.1016/j.jorganchem.2015.01.014
https://doi.org/10.1016/j.jorganchem.2015.01.014
Autor:
Tibor Szilvási, Tamás Veszprémi
Publikováno v:
ACS Catalysis. 3:1984-1991
The Suzuki–Miyaura reaction is one of the most interesting coupling schemes and is widely used in industrial applications. The catalytic cycle of Suzuki–Miyaura coupling has been investigated using N-heterocyclic carbene (NHC) ligands. Detailed a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dfbe1a45f71e523e19bbc39aecbf2fd8
https://doi.org/10.1021/cs400429j
https://doi.org/10.1021/cs400429j
Autor:
Tamás Veszprémi, Tibor Szilvási
Publikováno v:
Organometallics. 31:3207-3212
Steric groups are often regarded in reactions as chemically irrelevant, inert parts of the molecules, which have no influence on the structure of the forming reactive center of the product but rather on the reaction rate; therefore, they are usually
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b8977315bbb42b232133734adeda401f
https://doi.org/10.1021/om201246g
https://doi.org/10.1021/om201246g
Publikováno v:
Organometallics. 30:5344-5351
The unique insertion reactions of the first, stable six-membered-ring silylene ({HC[CMeN(R)]2}Si, R = 2,6-diisopropylphenyl) with eight reactants were investigated by the B3LYP/cc-pVTZ method. The initial step (IS) of all the reactions is the formati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1930c1e1dbb1ec741dadcae0db2aa49a
https://doi.org/10.1021/om200424k
https://doi.org/10.1021/om200424k
Publikováno v:
Chemical Physics Letters. 499:26-30
Substitution of C–H groups in 1,3,5-trimethylenebenzene (1,3,5-TMB) triradical by one, two or three N, P and As atoms is studied using CASSCF/CASPT2 computations with a ANO-RCC triple-ζ basis set. The computations showed that consistently with the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::868f8bd51e508333099e743db5c1e713
https://doi.org/10.1016/j.cplett.2010.08.085
https://doi.org/10.1016/j.cplett.2010.08.085
Publikováno v:
Comptes Rendus Chimie. 13:1173-1179
Spontaneous and rapid polymerization of phosphaethyne was previously observed, however the crystal structure and electronic properties of the polymer have not been studied in detail. In the present work, we investigated the stability and electronic s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::996221488f70f9ae4bf43f39c0e5e9c5
https://doi.org/10.1016/j.crci.2010.03.033
https://doi.org/10.1016/j.crci.2010.03.033
Publikováno v:
Organometallics. 29:1107-1116
The geometric and electronic structures of phosphaethyne trimers were studied using density functional theory (B3LYP/cc-pVTZ) as well as CBS-QB3, CCSD(T), and complete active space self-consistent field (CASSCF) computations. The effect of the substi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2b4d6f4309907559b623e9645db2f421
https://doi.org/10.1021/om900812s
https://doi.org/10.1021/om900812s