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- [11] AB-INITIO CALCULATION OF VIBRATIONAL ABSORPTION AND CIRCULAR-DICHROISM SPECTRA USING DENSITY-FUNCTIONAL FORCE-FIELDS JOURNAL OF PHYSICAL CHEMISTRY, 1994, 98 (45): : 11623 - 11627
- [14] Introduction to density-functional theory and ab-initio molecular dynamics QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS, 2002, 21 (02): : 97 - 104
- [15] AB-INITIO DENSITY-FUNCTIONAL THEORY OF ELECTRONIC-STRUCTURE ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1995, 209 : 344 - PHYS
- [16] AB-INITIO AND DENSITY-FUNCTIONAL CALCULATIONS ON ETHYLENE-GLYCOL JOURNAL OF PHYSICAL CHEMISTRY, 1994, 98 (04): : 1121 - 1128
- [20] Exploring new density-functional embedding techniques for strongly correlated electrons: From model to ab initio Hamiltonians ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 256