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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_2 | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -1341.03966144; Eh | |||
 | 15-Jul-2022 | /Other_trials/Figure_S11 intermediate_A2-a | Soysal, Esra Nur | Gaussian; 09; EM64L-G09RevB.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | - | |||
 | 15-Jul-2022 | /Other_trials/Figure_S11 intermediate_A2-b | Soysal, Esra Nur | Gaussian; 09; EM64L-G09RevB.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | - | |||
 | 15-Jul-2022 | /Other_trials/Figure_S11 intermediate_A2 | Soysal, Esra Nur | Gaussian; 09; EM64L-G09RevB.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | - | |||
 | 15-Jul-2022 | /Water/B3LYP-D3(BJ)_6311+G(d,p) intermediate_C | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | 6-311+G(D,P) | -1265.29153435; Eh | |||
 | 15-Jul-2022 | /Water/B3LYP-D3(BJ)_6311+G(d,p) intermediate_B | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | 6-311+G(D,P) | -1265.26857300; Eh | |||
 | 15-Jul-2022 | /Water/B3LYP-D3(BJ)_6311+G(d,p) intermediate_D | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | 6-311+G(D,P) | -1569.70790088; Eh | |||
 | 15-Jul-2022 | /Theozyme intermediate_5 | Soysal, Esra Nur | Gaussian; 09; EM64L-G09RevB.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | - | |||
 | 15-Jul-2022 | /Other_trials/Figure_S9 intermediate_Aprime | Soysal, Esra Nur | Gaussian; 09; EM64L-G09RevB.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | - | |||
 | 15-Jul-2022 | /Chloroform/mPW1PW91_6-31+G(d,p) intermediate_A1 | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -1264.60233534; Eh |
Results 11-20 of 46 (Search time: 0.001 seconds).