화학공학소재연구정보센터
검색결과 : 2건
No. Article
1 Atomic Spectral Methods for Ab Initio Molecular Electronic Energy Surfaces: Transitioning From Small-Molecule to Biomolecular-Suitable Approaches
Mills JD, Ben-Nun M, Rollin K, Bromley MWJ, Li JB, Hinde RJ, Winstead CL, Sheehy JA, Boatz JA, Langhoff PW
Journal of Physical Chemistry B, 120(33), 8321, 2016
2 Atomic Spectral-Product Representations of Molecular Electronic Structure: Metric Matrices and Atomic-Product Composition of Molecular Eigenfunctions
Ben-Nun M, Mills JD, Hinde RJ, Winstead CL, Boatz JA, Gallup GA, Langhoff PW
Journal of Physical Chemistry A, 113(26), 7687, 2009