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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Jul-2022 | /Theozyme Theozyme_TS-2 | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -1340.98987110; Eh | |||
 | 15-Jul-2022 | /Water/mPW1PW91_6-31+G(d,p) TS3 | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -1264.57849983; Eh | |||
 | 15-Jul-2022 | /Theozyme Theozyme_TS-7 | Soysal, Esra Nur | Gaussian; 09; EM64L-G09RevB.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -1496.77931112; Eh | |||
 | 10-Aug-2022 | /Theozyme_G16 Theozyme_TS-4 | Soysal, Esra Nur | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -1340.98989396; Eh | |||
| 10-Aug-2022 | /Theozyme_G16 Theozyme_TS-7 | Soysal, Esra Nur | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -1496.77938063; Eh | |||
| 10-Aug-2022 | /Theozyme_G16 Theozyme_TS-5 | Soysal, Esra Nur | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -1417.41776805; Eh | |||
| 10-Aug-2022 | /Theozyme_G16 Theozyme_TS-6 | Soysal, Esra Nur | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -1454.29585120; Eh | |||
 | 15-Jul-2022 | /Chloroform/mPW1PW91_6-31+G(d,p) TS2 | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | -1264.54953585; Eh | |||
 | 15-Jul-2022 | /Theozyme Theozyme_TS-5 | Soysal, Esra Nur | Gaussian; 09; EM64L-G09RevB.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | - | |||
 | 15-Jul-2022 | /Theozyme Theozyme_TS-9 | Soysal, Esra Nur | Gaussian; 09; EM64L-G09RevB.01 | Geometry optimization TS | RmPW1PW91 | 6-31+G(D,P) | - |
Results 11-20 of 66 (Search time: 0.001 seconds).