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20 积分 2023-11-28 加入
Ab initio molecular dynamics simulation of liquid water with fragment-based quantum mechanical approach under periodic boundary conditions
1小时前
求助中
Terahertz calorimetry spotlights the role of water in biological processes
4个月前
已完结
Unified deep learning framework for many-body quantum chemistry via Green’s functions
5个月前
已完结
Molybdenum Carbonyl Complexes with Benzimidazole Derivatives Against SARS-CoV-2 by Molecular Docking and DFT/TDDFT Methods
6个月前
已完结
Simulating 500 million years of evolution with a language model
10个月前
已完结
Polymer-based Organic Room-temperature Phosphorescent Materials
10个月前
已完结
High-throughput property-driven generative design of functional organic molecules
1年前
已完结
AUTOCORRELATION FUNCTIONS OF TRANSLATIONAL AND ROTATIONAL VELOCITIES IN MOLECULAR DYNAMIC MODELS OF WATER AND THEIR SPECTRA
1年前
已完结
Designing catalysts via evolutionary-based optimization techniques
1年前
已完结
Structure of a fungal 1,3-β-glucan synthase
1年前
已完结
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