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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-May-2024 | c3ab-cmdb-irc-fm | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RwB97XD | SDD 6-31G(D,P) GEN | -1545.12368307; Eh | |||
 | 7-May-2024 | c5ab-cmdb-irc-fm | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RwB97XD | SDD 6-31G(D,P) GEN | -1545.13207038; Eh | |||
 | 7-May-2024 | c3ab-cmdb-irc-rm | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RwB97XD | SDD 6-31G(D,P) GEN | -1545.12859533; Eh | |||
 | 7-May-2024 | c5ab-cmda-irc-rm | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RwB97XD | SDD 6-31G(D,P) GEN | -1545.12230888; Eh | |||
 | 7-May-2024 | c5ab-cmdb-irc-rm | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RwB97XD | SDD 6-31G(D,P) GEN | -1545.12250704; Eh | |||
 | 7-May-2024 | c3ab-cmda-irc-fm | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RwB97XD | SDD 6-31G(D,P) GEN | -1545.11972283; Eh | |||
 | 7-May-2024 | c5ab-cmda-irc-fm | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RwB97XD | SDD 6-31G(D,P) GEN | -1545.13217859; Eh | |||
 | 7-May-2024 | /DMSO/SP Zn-L-2NCO_sp | Zlatar, Matija | AMS; 2023.104; r115785 | Single point | TZP | -372.728238; eV | ||||
| 7-May-2024 | /FDL/Zn-L-2Az ZnL-2Az-m | Zlatar, Matija | AMS; 2023.104; r115785 | Single point | TZP | -365.496460; eV | ||||
| 7-May-2024 | /FDL/Zn-2L Zn-2L-m | Zlatar, Matija | AMS; 2023.104; r115785 | Single point | TZP | -583.370682; eV |
Results 318161-318170 of 319261 (Search time: 0.255 seconds).
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Subject
- 2575 Reactivity
- 2491 Atomic property
- 2491 Benchmark
- 2491 Dipole
- 2491 Electronic Population
- 2491 QTAIM
- 2491 Quadrupole
- 2263 Mass spectrometry
- 2118 Peptides
- 2113 Conformation analysis
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Date issued
- 1 2020