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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Jul-2022 | /Water/mPW1PW91_6-31+G(d,p) TS4 | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -1264.57382810; Eh | |||
 | 15-Jul-2022 | /Water/mPW1PW91_6-31+G(d,p) TS5 | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -1568.74460119; Eh | |||
 | 15-Jul-2022 | /Water/mPW1PW91_6-31+G(d,p) TS1 | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -1341.00318019; Eh | |||
 | 15-Jul-2022 | /Water/mPW1PW91_6-31+G(d,p) TS2 | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -1264.56644473; Eh | |||
 | 15-Jul-2022 | /Theozyme Theozyme_TS-3 | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -1340.98985926; Eh |
Results 31-35 of 35 (Search time: 0.001 seconds).