共 50 条
- [41] Determination of absolute configuration using ab initio density functional theory vibrational circular dichroism spectroscopy ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1996, 211 : 418 - ORGN
- [42] Ab initio circular dichroism with the yambo code: Beyond the independent particle approximation NUOVO CIMENTO C-COLLOQUIA AND COMMUNICATIONS IN PHYSICS, 2022, 45 (06):
- [45] Toward Ab Initio Anharmonic Vibrational Circular Dichroism Spectra in the Condensed Phase JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2012, 3 (13): : 1766 - 1773
- [46] Aromatic nitrogen heterocyclic heats of formation: A comparison of semiempirical and ab initio treatments JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1997, 393 : 9 - 24
- [47] Aromatic nitrogen heterocyclic heats of formation: a comparison of semiempirical and ab initio treatments J Molec Struct, (09):
- [49] Molecular mechanics description of cytosine energy and geometry using preliminary ab initio results JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2005, 729 (1-2): : 59 - 64
- [50] Resonance in amides. Comparison of ab initio and semiempirical methodologies in the description of acetamide JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1997, 401 (1-2): : 157 - 164