Search Results - "Veszprémi, Tamás"

Internal Catalytic Effect of Bulky NHC Ligands in Suzuki–Miyaura Cross-Coupling Reaction by Szilvási, Tibor, Veszprémi, Tamás

“…The Suzuki–Miyaura reaction is one of the most interesting coupling schemes and is widely used in industrial applications. The catalytic cycle of…”
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Molecular Tailoring: Reaction Path Control with Bulky Substituents by Szilvási, Tibor, Veszprémi, Tamás

“…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…”
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Molecular Tailoring: Substituent Design for Hexagermabenzene by Szilvási, Tibor, Veszprémi, Tamás

“…The preparation of new, heavy element compounds with an unusual bonding situation is still a real challenge since, with the lack of solid chemical knowledge,…”
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Differences Between Amine- and Phosphine-Boranes: Synthesis, Photoelectron Spectroscopy, and Quantum Chemical Study of the Cyclopropylic Derivatives by Németh, Balázs, Khater, Brahim, Guillemin, Jean-Claude, Veszprémi, Tamás

“…Borane complexes of aziridine, phosphirane, cyclopropylamine, cyclopropylphosphine, cyclopropylmethylamine, and cyclopropylmethylphosphine have been prepared…”
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On the Stability of Six-Membered-Ring Carbenes and Silylenes by Nyiri, Kinga, Veszprémi, Tamás

“…The stability of the recently synthesized six-membered-ring silylene (1) and its eight structural isomers was investigated by quantum chemical methods. The…”
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Accurate interaction energies at density functional theory level by means of an efficient dispersion correction by Krishtal, Alisa, Vanommeslaeghe, Kenno, Olasz, András, Veszprémi, Tamás, Van Alsenoy, Christian, Geerlings, Paul

“…This paper presents an approach for obtaining accurate interaction energies at the density functional theory level for systems where dispersion interactions…”
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Unique Insertion Mechanisms of Bis-dehydro-β-diketiminato Silylene by Szilvási, Tibor, Nyíri, Kinga, Veszprémi, Tamás

“…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…”
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Growth Mechanism and Chemical Bonding in Scandium‐Doped Copper Clusters: Experimental and Theoretical Study in Concert by Höltzl, Tibor, Veldeman, Nele, De Haeck, Jorg, Veszprémi, Tamás, Lievens, Peter, Nguyen, Minh Tho

“…Size matters! The electronic structure and size‐dependent stability of neutral and cationic scandium‐doped copper clusters have been investigated by mass…”
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Trimethylaluminum and Borane Complexes of Primary Amines by Németh, Balázs, Guégan, Jean-Paul, Veszprémi, Tamás, Guillemin, Jean-Claude

“…Trimethylaluminum (TMA) complexes of methyl-, n-propyl-, cyclopropyl-, allyl-, and propargylamine were synthesized and their experimental properties and…”
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Formation of Phosphaalkyne Trimers: A Mechanistic Study by Höltzl, Tibor, Nguyen, Minh Tho, Veszprémi, Tamás

“…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…”
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Mechanism of Water Addition to Silatriafulvenes and Silapentafulvenes by Oláh, Julianna, Veszprémi, Tamás

“…The mechanisms of water (monomeric and dimeric) and methanol addition to 4-silatriafulvene and water addition to 3-silatriafulvene, 5-silapentafulvene,…”
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Hard−Soft Acid−Base Interactions of Silylenes and Germylenes by Oláh, Julianna, Proft, Frank De, Veszprémi, Tamás, Geerlings, Paul

“…A detailed investigation of the electrophilic and nucleophilic character of singlet silylenes and germylenes, divalent compounds of silicon and germanium,…”
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Nitromethane−Methyl Nitrite Rearrangement:  A Persistent Discrepancy between Theory and Experiment by Nguyen, Minh Tho, Le, Hung Thanh, Hajgató, Balázs, Veszprémi, Tamás, Lin, M. C

“…We reexamined the mechanism of the unimolecular rearrangement connecting both nitromethane and methyl nitrite isomers. The CH3NO2 potential energy surface was…”
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1,2-Addition Reaction of Monosubstituted Disilenes:  An Ab Initio Study by Takahashi, Masae, Veszprémi, Tamás, Kira, Mitsuo

“…Mechanisms of 1,2-addition reactions of the monosubstituted disilenes H2SiSiHMe, H2SiSiHF, H2SiSiH(C⋮CH), and H2SiSiH(NH2) were investigated in detail by…”
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Synthesis of Phosphorus Ylides Bearing a PH Bond from a Kinetically Stabilized 1,3,6-Triphosphafulvene by Ito, Shigekazu, Miyake, Hideaki, Yoshifuji, Masaaki, Höltzl, Tibor, Veszprémi, Tamás

“…In mixing 2,4,6‐tris(2,4,6‐tri‐tert‐butylphenyl)‐1,3,6‐triphosphafulvene with alkyllithium compounds and acetic acid, both of nucleophilic alkylation and…”
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The Mechanism of 1,2-Addition of Disilene and Silene. 1. Water and Alcohol Addition by Veszprémi, Tamás, Takahashi, Masae, Hajgató, Balázs, Kira, Mitsuo

“…The mechanism of 1,2-addition reactions of water, methanol, and trifluoromethanol to SiSi, SiC, and CC bonds has been investigated by ab initio quantum…”
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Theoretical Study on Stereochemical Diversity in the Addition of Water to Disilene by Takahashi, Masae, Veszprémi, Tamás, Hajgató, Balazs, Kira, Mitsuo

“…An ab initio MO study of the mechanisms for the addition of water to disilene (H2SiSiH2) has shown that two bimolecular addition pathways are feasible:  one…”
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Transition Metal Complexes of N‐Heterocyclic Germylenes by Ullah, Farman, Kühl, Olaf, Bajor, Gabor, Veszprémi, Tamas, Jones, Peter G., Heinicke, Joachim

“…The five‐membered N‐heterocyclic germylenes (NHGe) 1a–3a, with or without benzo or naphtho anellation, react with [Mo(CO)3(cht)] (cht = 1,3,5‐cycloheptatriene)…”
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An ab Initio MO Study of Structure and Reactivity of 4-Silatriafulvene by Veszprémi, Tamás, Takahashi, Masae, Ogasawara, Jun, Sakamoto, Kenkichi, Kira, Mitsuo

“…The structures and reactions of 4-silatriafulvene were studied in detail by ab initio molecular orbital theory. At the equilibrium structure, 4-silatriafulvene…”
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Substituent Effects on the Structure and Aromaticity of 4-Silatriafulvene by Veszprémi, Tamás, Takahashi, Masae, Hajgató, Balazs, Ogasawara, Jun, Sakamoto, Kenkichi, Kira, Mitsuo

“…The structure and aromaticity of several 4-silatriafulvene derivatives are studied using correlated ab initio MO calculations. Electronegative substituents on…”
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