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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
Three_MII | Azmani, Khalid | Mopac; 2016; 16.093L 64BITS | PM6 | - | -1239.7165119308866; nonsi:hartree | |||
Three_MIA | Azmani, Khalid | Mopac; 2016; 16.093L 64BITS | PM6 | - | -4971.229641937674; nonsi:hartree | |||
Three_MIB | Azmani, Khalid | Mopac; 2016; 16.093L 64BITS | PM6 | - | -14278.395478000648; nonsi:hartree | |||
Three_MIIA | Azmani, Khalid | Mopac; 2016; 16.093L 64BITS | PM6 | - | -4819.618085616211; nonsi:hartree | |||
Two_MIA | Azmani, Khalid | Mopac; 2016; 16.093L 64BITS | PM6 | - | -4184.239268424509; nonsi:hartree | |||
Two_MIB | Azmani, Khalid | Mopac; 2016; 16.093L 64BITS | PM6 | - | -13491.40253387333; nonsi:hartree | |||
Two_MIIA | Azmani, Khalid | Mopac; 2016; 16.093L 64BITS | PM6 | - | -4184.284151457825; nonsi:hartree | |||
Three_MI | Azmani, Khalid | Mopac; 2016; 16.093L 64BITS | PM6 | - | -1391.3746755632349; nonsi:hartree |
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