100+ B3lyp aug cc pvdz PowerPoint (PPT) Presentations, B3lyp aug cc pvdz PPTs

B3lyp aug cc pvdz - PowerPoint PPT Presentation

58.8 (44.0, 30.2) 55.7 59.8 (64.6, 40.4) 58.1 54.9 (41.1, 26.9)

B3LYP/6-31+G** MPW1PW91/6-31+G** MP2/6-31+G** B3LYP/aug-cc-pVDZ MPW1PW91/aug-cc-Pvdz ??????? S-T gap. 58.8 (44.0, 30.2) 55.7 59.8 (64.6, 40.4) 58.1 54.9 (41.1, 26.9). 61.7 (69.9, 29.8) 53.4 62.8 (73.9, 34.9) 60.8 52.1 (69.8, 29.2). 76.2 (66.3, 42.6) 68.9 65.5 (89.6, 57.4) 75.1

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B3lyp aug cc pvdz - PowerPoint PPT Presentation

58.8 (44.0, 30.2) 55.7 59.8 (64.6, 40.4) 58.1 54.9 (41.1, 26.9)