Lv6
2150 积分 2021-05-20 加入
Density Functional Study of the Interaction of Palladium Clusters with Hydrogen and CHx Species
24天前
已完结
Reactive molecular dynamics for the [Cl–CH3–Br]−reaction in the gas phase and in solution: a comparative study using empirical and neural network force fields
1个月前
已完结
Generation of singlet oxygen catalyzed by the room-temperature-stable anthraquinone anion radical
2个月前
已完结
Crystalline mate for structure elucidation of organic molecules
2个月前
已完结
THEORETICAL PREDICTION AND COMPREHENSIVE CHARACTERIZATION OF AN ALL‐NITROGENATOMIC RING, CYCLO[18]NITROGEN (N18)
3个月前
已完结
Exploring the Aromaticity Differences of Isoelectronic Species of Cyclo[18]carbon (C18), B6C6N6, and B9N9: The Role of Carbon Atoms as Connecting Bridges
3个月前
已完结
How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
4个月前
已完结
Hydroxyl-containing triazine-based conjugated microporous polymers for solid phase extraction of fluoroquinolone antibiotics in the environment and food samples
5个月前
已完结
Unveiling the mechanical and dynamical stability to the contribution of transport properties of FeNbSb: A first principle approach
5个月前
已完结
Physical insights into non-fullerene organic photovoltaics
5个月前
已完结
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