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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 31-May-2021 | AltPath1_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RmPW1PW91 | 6-31+G(D,P) | - | |||
 | 31-May-2021 | IntC_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RmPW1PW91 | 6-31+G(D,P) | - | |||
 | 31-May-2021 | IntB_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RmPW1PW91 | 6-31+G(D,P) | - | |||
 | 31-May-2021 | IntA_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RmPW1PW91 | 6-31+G(D,P) | - | |||
 | 31-May-2021 | TSAB_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RmPW1PW91 | 6-31+G(D,P) | - | |||
 | 31-May-2021 | TSBC_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RmPW1PW91 | 6-31+G(D,P) | - | |||
 | 31-May-2021 | AltPath3_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RmPW1PW91 | 6-31+G(D,P) | - | |||
 | 31-May-2021 | AltPath3altConformer_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RmPW1PW91 | 6-31+G(D,P) | - | |||
 | 31-May-2021 | AltPath2_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RmPW1PW91 | 6-31+G(D,P) | - | |||
 | 15-Jul-2022 | /Water/mPW1PW91_6-311+G(d,p)__mPW1PW91_6-31+G(d,p) TS2 | Soysal, Esra Nur | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RmPW1PW91 | 6-311+G(D,P) | -1264.8151557; Eh |
Results 1-10 of 36 (Search time: 0.002 seconds).