Lv21
162 积分 2023-09-23 加入
Aromaticity rules
1小时前
待确认
Method and basis set dependence of the NICS indexes of aromaticity for benzene
11天前
已完结
The role of “external” lone pairs in the chemical bonding of bare post-transition element clusters: the Wade–Mingos rules versus the jellium model
20天前
已完结
Clusters, Superatoms, and Building Blocks of New Materials
20天前
已完结
Formation enthalpies by mixing GGA and GGA+Ucalculations
25天前
已完结
Apical Cyanide Ligand Substitution in Heterometallic Clusters [Re3Mo3Q8(CN)6]n– (Q = S, Se)
25天前
已完结
Superatom Networks in Thiolate‐Protected Gold Nanoparticles
30天前
已完结
A Highly Distorted Open-Shell Endohedral Zintl Cluster: [Mn@Pb12]3–
1个月前
已完结
High-Stability Light-Element Magnetic Superatoms Determined by Hund’s Rule
1个月前
已完结
Theoretical Study of the Structural, Energetic, and Electronic Properties of 55-Atom Metal Nanoclusters: A DFT Investigation within van der Waals Corrections, Spin–Orbit Coupling, and PBE+U of 42 Metal Systems
1个月前
已完结
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