Browsing by Author Schmidtke, Inga Lena
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 5-Jan-2025 | 1 | Schmidtke, Inga Lena | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -24126.1326125; Eh | |||
| 7-Jan-2026 | 1 | Schmidtke, Inga Lena | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -24126.1326125; Eh | ||||
![]() | 5-Jan-2025 | 10 | Schmidtke, Inga Lena | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -24199.8941822; Eh | |||
| 7-Jan-2026 | 10 | Schmidtke, Inga Lena | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -24199.8941822; Eh | ||||
![]() | 5-Jan-2025 | 11 | Schmidtke, Inga Lena | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -24432.059807; Eh | |||
| 7-Jan-2026 | 11 | Schmidtke, Inga Lena | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -24432.059807; Eh | ||||
![]() | 5-Jan-2025 | 12 | Schmidtke, Inga Lena | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -24432.0526941; Eh | |||
| 7-Jan-2026 | 12 | Schmidtke, Inga Lena | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -24432.0526941; Eh | ||||
![]() | 5-Jan-2025 | 13 | Schmidtke, Inga Lena | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -24663.0016983; Eh | |||
| 7-Jan-2026 | 13 | Schmidtke, Inga Lena | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -24240.4007843; Eh | ||||
| 7-Jan-2026 | 14 | Schmidtke, Inga Lena | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -24240.3941535; Eh | ||||
| 7-Jan-2026 | 15 | Schmidtke, Inga Lena | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -24126.0922459; Eh | ||||
![]() | 5-Jan-2025 | 15e | Schmidtke, Inga Lena | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -24279.6957433; Eh | |||
![]() | 5-Jan-2025 | 15m | Schmidtke, Inga Lena | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -24240.4007843; Eh | |||
| 7-Jan-2026 | 16 | Schmidtke, Inga Lena | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -24126.0987518; Eh | ||||
![]() | 5-Jan-2025 | 16e | Schmidtke, Inga Lena | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -24278.4960976; Eh | |||
![]() | 5-Jan-2025 | 17 | Schmidtke, Inga Lena | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -24126.0922459; Eh | |||
| 7-Jan-2026 | 17 | Schmidtke, Inga Lena | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -24278.4629598; Eh | ||||
![]() | 5-Jan-2025 | 18 | Schmidtke, Inga Lena | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -24126.0987518; Eh | |||
| 7-Jan-2026 | 18 | Schmidtke, Inga Lena | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -24278.4622184; Eh |
