冷淡一切
发表于 2025-3-23 11:53:49
http://reply.papertrans.cn/87/8686/868505/868505_11.png
AER
发表于 2025-3-23 14:46:44
A group theoretical paradigm for describing the skeletal molecular orbitals of cluster compounds. Pa and . or ..−.. and . components to ... and L.. do not contribute equally to the bonding. The closed shell requirements for such clusters are defined and the orbital symmetry constraints pertaining to the interconversion of conformers of these clusters are described.
judicial
发表于 2025-3-23 20:46:02
http://reply.papertrans.cn/87/8686/868505/868505_13.png
judiciousness
发表于 2025-3-24 01:33:17
Binding energy of large icosahedral and cuboctahedral Lennard-Jones clustersl structures which have cuboctahedral fcc symmetry. It is of interest to understand the transition between this finite and bulk behavior. To model this transition in rare gas clusters we have undertaken optimization studies within the Lennard-Jones pair potential model. Using a combination of Monte
引起
发表于 2025-3-24 04:39:18
Energy barriers and structural transitions of small Al clustersdel potential comprising two- and three-body interactions. Parameters used in this potential energy function were evaluated from fits to high level ab initio calculations for Al clusters. Energy barriers separating low-lying configurations were found to be in varying heights. Results indicate that i
ingestion
发表于 2025-3-24 10:00:29
http://reply.papertrans.cn/87/8686/868505/868505_16.png
obscurity
发表于 2025-3-24 11:27:54
Structure and dynamics of Lennard-Jones clusters with impuritieslvation and the melting and freezing transitions for different values of the relative atomic size and interaction energy have been studied for ..., ..., ... and .... clusters. For ... large impurities do not solvate even for high interaction energy. For ... larger impurities remain on the surface fo
dura-mater
发表于 2025-3-24 18:30:21
Stability of relaxed Lennard-Jones models made of 500 to 6000 atomsard-Jones potential. The potential energy per atom, calculated for relaxed models, shows that stable models belong to an icosahedral sequence when . <1600 and to a decahedral sequence beyond. A coexistence size range of both structures is discussed in connection with experimental results on argon cl
DIKE
发表于 2025-3-24 20:56:59
http://reply.papertrans.cn/87/8686/868505/868505_19.png
rectum
发表于 2025-3-25 00:18:51
Equilibrium intermetallic particles in the gas phase—A Knudsen cell mass spectrometric studyin. In all these systems intermetallic particles with extraordinary stoichiometries could be detected. A brief discussion of the appearance energies and the bonding principle of these molecules or clusters are given.