atomic spectral methods for ab initio molecular electronic energy surfaces transitioning from small-molecule to biomolec.原子光谱的方法从头开始分子电子能量从小分子表面过渡到biom.pdfVIP

Article /JPCB Atomic Spectral Methods for Ab Initio Molecular Electronic Energy Surfaces: Transitioning From Small-Molecule to Biomolecular- Suitable Approaches Je ffrey D. Mills,† Michal Ben-Nun,‡ Kyle Rollin,§ Michael W. J. Bromley, ∥ Jiabo Li, ⊥ Robert J. Hinde,# Carl L. Winstead,∇ Je ffrey A. Sheehy,○ Je