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Density functional investigation of structure and stability of Ge(n) and Ge(n)Ni (n = 1-20) clusters: validity of the electron counting rule. Structure and electronic properties of neutral and cationic pure and Ni-doped Ge clusters containing 1-20 Ge atoms are calculated within the framework...
(2002). "The Lowdin challenge: Origin of the n + l, n (Madelung) rule for filling the orbital configurations of the periodic table," International Journal of Quantum Chemistry, 90, 80-88.Allen, L. C. and E. T. Knight (2002). The L¨owdin challenge: Origin of the n + l ,n (...
noncrossing rule 不相交规则noncrystalline semiconductor 非晶质半导体nondestructive analysis 非破坏性分析nondimensional number 无因次数nondrying oil 非干性油nonelastic collision 非弹性碰撞nonelastic gel 非弹性凝胶nonelectrolyte 非电解质nonequilibrium thermodynamics 非平衡态热力学nonessential amino acid 非必需...
The Bingel-Hirsch reactions on non-isolated pentagon rule (non-IPR) Gd(3)N@C(2n) (2n = 82, 84) are studied. Computational results show that the two metallo... N Alegret,MN Chaur,E Santos,... - 《Journal of Organic Chemistry》 被引量: 75发表: 2010年 Reactions Starting from Diiron...
The coordination numbers in As<SUB>2</SUB>Se<SUB>3</SUB> glass were determined by a combination of anomalous X-ray scattering experiments, reverse Monte Carlo modeling, and ab initio molecular dynamics simulations. We found that the well-known "8-N bonding rule" proposed by Mott breaks down...
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