SAPT
| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
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The total binding energy in SAPT energy decomposition turns out to be positive
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7 | 1970 | September 3, 2019 |
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Atomic numbers limit in SAPT?
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7 | 800 | November 1, 2019 |
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SAPT with ECP for Iodine atom
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3 | 1931 | August 3, 2019 |
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SAPT (DFT) issues
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1 | 1157 | July 26, 2019 |
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Bug in the E(30)ind SAPT correction?
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2 | 637 | July 12, 2019 |
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Higher order SAPT with RI for heavier elements
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1 | 720 | May 23, 2019 |
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Unusually High Electrostatic Energy for Ionic Systems w/ SAPT2+3?
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5 | 876 | May 14, 2019 |
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MinAO file extension
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1 | 714 | May 9, 2019 |
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SAPT(DFT) wB97X-V Error
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6 | 2106 | May 2, 2019 |
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Interaction between transition metal and waters
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2 | 717 | May 2, 2019 |
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Is this statement about the SAPT analysis true?
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11 | 1327 | June 13, 2019 |
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sSAPT Scaling term and F-SAPT
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3 | 957 | April 12, 2019 |
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F/I SAPT0 problem with three fragments
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1 | 1734 | April 5, 2019 |
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Open-shell sapt calaculation
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13 | 1683 | May 26, 2019 |