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6 积分 2025-12-26 加入
Analyzing Reaction Rates with the Distortion/Interaction‐Activation Strain Model
3小时前
待确认
A DFT Study of an Organocatalytic Enantioselective Mannich Reaction Under the Sway of Noncovalent Interactions
3小时前
已完结
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
3小时前
已完结
Self-Consistent Equations Including Exchange and Correlation Effects
4小时前
已完结
A high-throughput infrastructure for density functional theory calculations
4小时前
已完结
Semiempirical Hartree-Fock calculations forKNbO3
4小时前
已完结
Force fields for silicas and aluminophosphates based onab initiocalculations
4小时前
已完结
Cell and molecular mechanics of biological materials
4小时前
已完结
Cell and molecular mechanics of biological materials
1天前
已完结
The Woodward–Hoffmann Rules Reinterpreted by Conceptual Density Functional Theory
1天前
已完结
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