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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 intermediate_4 | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -1341.03949203; Eh | |||
 | 15-Jul-2022 | /Theozyme intermediate_3 | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -1341.03947550; Eh | |||
 | 15-Jul-2022 | /Chloroform/mPW1PW91_6-31+G(d,p) intermediate_A2 | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -1264.59841533; Eh | |||
 | 15-Jul-2022 | /Chloroform/mPW1PW91_6-31+G(d,p) intermediate_A | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -1341.00695025; Eh | |||
 | 15-Jul-2022 | /Chloroform/mPW1PW91_6-31+G(d,p) intermediate_B | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -1264.57152917; Eh | |||
 | 15-Jul-2022 | /Theozyme intermediate_7 | Soysal, Esra Nur | Gaussian; 09; EM64L-G09RevB.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | - | |||
 | 10-Aug-2022 | /Theozyme_G16 intermediate_5 | Soysal, Esra Nur | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -1417.46750352; Eh | |||
| 10-Aug-2022 | /Theozyme_G16 intermediate_7 | Soysal, Esra Nur | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -1496.83095760; Eh | |||
| 10-Aug-2022 | /Theozyme_G16 intermediate_6 | Soysal, Esra Nur | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -1454.34745738; Eh | |||
 | 15-Jul-2022 | /Theozyme intermediate_1 | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -1341.03959245; Eh |
Results 1-10 of 46 (Search time: 0.001 seconds).