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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 30-Mar-2026 | Rh4 | Schmidtke, Inga Lena; Nova, Ainara | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -2261.8316087; Eh | |||
![]() | 30-Mar-2026 | Rh2 | Schmidtke, Inga Lena; Nova, Ainara | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -2183.2323748; Eh | |||
![]() | 30-Mar-2026 | Rh0 | Schmidtke, Inga Lena; Nova, Ainara | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -3678.9492872; Eh | |||
![]() | 30-Mar-2026 | Rh1 | Schmidtke, Inga Lena; Nova, Ainara | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -3219.290001; Eh | |||
![]() | 30-Mar-2026 | ethylene | Schmidtke, Inga Lena; Nova, Ainara | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -78.5476486; Eh | |||
![]() | 30-Mar-2026 | PPh3 | Schmidtke, Inga Lena; Nova, Ainara | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -1035.9966804; Eh | |||
![]() | 30-Mar-2026 | ethane | Schmidtke, Inga Lena; Nova, Ainara | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -79.7856261; Eh | |||
![]() | 30-Mar-2026 | H2 | Schmidtke, Inga Lena; Nova, Ainara | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -1.170098; Eh | |||
![]() | 30-Mar-2026 | Rh35 | Schmidtke, Inga Lena; Nova, Ainara | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -3242.3206307; Eh | |||
![]() | 30-Mar-2026 | Rh36 | Schmidtke, Inga Lena; Nova, Ainara | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | DEF2SVP DEF2TZVP | -3242.333171; Eh |
Results 392901-392910 of 397899 (Search time: 0.246 seconds).
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Subject
- 12577 Density functional calculations
- 6967 Radicals
- 6799 Ab initio calculations
- 6766 Aromaticity
- 6643 Magnetic properties
- 6348 Electric Field
- 6348 Magnetoelectricity
- 4188 2D Covalent Organic Frameworks
- 3145 Homogeneous catalysis
- 3047 boron
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