Lv21
108 积分 2024-11-12 加入
Multiwfn: A multifunctional wavefunction analyzer
7小时前
待确认
The influence of polarization functions on molecular orbital hydrogenation energies, Theoret
7小时前
已完结
Self-consistent molecular orbital methods. XXIII. A polarization-type basis set for second-row elements
7小时前
已完结
elf-consistent molecular orbital methods. XII. further extensions of gaussian-type basis sets for use in molecular orbital studies of organic molecules,
7小时前
已完结
A new mixing of Hartree-Fock and local density-functional theories
7小时前
已完结
Density-functional thermochemistry. I. The effect of the exchange-only gradient correction,
8小时前
已完结
Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: characterization and correction of the time-dependent local density approximation ionization threshold
8小时前
已完结
Treatment of electronic excitations within the adiabatic approximation of time dependent density functional theory
8小时前
已完结
Realizing high-rate aqueous zinc-ion batteries using organic cathode materials containing electron-withdrawing groups,
9个月前
已完结
High‐performance aqueous zinc‐organic battery achieved by reasonable molecular design, Batteries & Supercaps
9个月前
已完结
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