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Beryllium Dimer: A Bond Based on Non-Dynamical Correlation
The Journal of Physical Chemistry A, 2014The bond nature in beryllium dimer has been theoretically investigated using high-level ab initio methods. A series of ANO basis sets of increasing quality, going from sp to spdf ghi contractions, has been employed, combined with HF, CAS-SCF, CISD, and MRCI calculations with several different active spaces.
M. W. El Khatib +6 more
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ChemInform Abstract: THERMOCHEMISTRY OF BERYLLIUM‐β‐DIKETONATES AND BERYLLIUM‐OXYGEN BOND ENERGIES
Chemischer Informationsdienst, 1977AbstractDie Bildungsenthalpien der kristallinen 1:2‐Komplexe des Be mit 2,2,6,6‐Tetramethylhep‐ tandion‐(3,5), 1,1,l‐Trifluorpentandion‐(2,4) und Tropolon wurden durch Lösungskalorimetrie bestimmt.
R. J. IRVING, M. A. V. RIBLISO DA SILVA
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Tunnel (virtual) chemical bond in beryllium biscyclopentadienyl
Bulletin of the Academy of Sciences of the USSR Division of Chemical Science, 19701. In Be(C5H5)2 the Be atom effects a tunnel chemical bond between the cyclopentadienyl rings. 2. On the basis of the spectral and structural data an estimate was made of the height of the potential barrier (1.4–2.9 kcal/mole) and the life span of the atom in one of the potential holes (1O−12−1O−13sec).
S. P. Ionov, G. V. Ionova
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In Silico Search for Boron‐Beryllium Dative Bond
European Journal of Inorganic Chemistry, 2020Quantum chemical calculations have been performed to search for the possibility of dative bond formation between two old neighbors, boron and beryllium. The studied compounds have been found to have high bond dissociation energies. The thermodynamics of their formation is also very favorable.
Amlan Jyoti Kalita +5 more
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Diffusion-bonded beryllium aluminum optical structures
SPIE Proceedings, 2003Beryllium aluminum material can present significant advantages for optical support structures. A very likely advantage of beryllium aluminum compared to aluminum or titanium for such structures is its higher specific stiffness. However, beryllium aluminum material is significantly more expensive than most competing materials.
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On the existence and characteristics of π-beryllium bonds
Phys. Chem. Chem. Phys., 2014The existence of π-beryllium bonds explains the stability of the complexes between ethylene and acetylene and BeX2(X = H, F, and Cl) derivatives.
Estefanía Fernández, Villanueva +2 more
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Beryllium-beryllium bonding. 2. Stability of polyatomic dications Be2Hn2+, for n = 1-4
The Journal of Physical Chemistry, 1992This ab initio study on the equilibrium geometries and stabilities of the title dications indicates that on the ground surface at least two (Be 2 H 2+ ) or three (Be 2 H 2 2+ , Be 2 H 3 2+ ) conformations are metastable (quasi-bound). Metastability is essentially governed by the stability of the BeBe bond since attractions of H or H 2 are ...
Pablo J. Bruna +2 more
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Energetics and bonding in beryllium metallized carbon clusters
Journal of Molecular Structure: THEOCHEM, 2007Small carbon clusters C, C2 and C3 metallized with beryllium were studied by first principles within the hybrid density functional approach with generalized gradient correction. Cluster isomer structures for the ground state and several excited states where systematically calculated for CxBey with x = 1–3 and y = 1–4 including the vibrational analysis ...
Anthony D. Patrick +2 more
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s‐Block Multiple Bonds: Isolation of a Beryllium Imido Complex
Angewandte Chemie - International Edition, 2021Guo-Cang Wang +2 more
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