Lv4
490 积分 2021-08-16 加入
Generalized Kohn‐Sham energy decomposition analysis and its applications
29天前
已完结
Assessments of DFT-based energy decomposition analysis methods for intermolecular interactions
29天前
已完结
Soil organic matter increases antimonate mobility in soil: An Sb(OH)6 sorption and modelling study
2个月前
已完结
A general intermolecular force field based on tight-binding quantum chemical calculations
3个月前
已完结
Hydroxy Diphosphonic Acid‐Anchored Self‐Assembled Monolayers Enable Annealing‐Free High‐Efficiency Hole Transport Layers for Organic Solar Cells
3个月前
已完结
Thiophene Expanded Self‐Assembled Monolayer as Hole Transport Layer for Organic Solar Cells with Efficiency of 20.78%
3个月前
已完结
Empowering materials science with VASPKIT: a toolkit for enhanced simulation and analysis
3个月前
已完结
Ultrafast water permeation through nanochannels with a densely fluorous interior surface
4个月前
已完结
Computational Chemistry for Experimentalists A Nonspecialist's Guide to Practical and Predictive Simulations
4个月前
已完结
Fluoro-substituted 2-formylphenylboronic acids: Structures, properties and tautomeric equilibria
5个月前
已完结
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