Browsing by Subject Hydride shift
Showing results 1 to 20 of 697
next >
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 3-Feb-2025 | h2o | Garcia Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31+G(D,P) | -76.4095321400; Eh | |||
![]() | 3-Feb-2025 | prod0-0beckm | Garcia Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31+G(D,P) | -93.6742530044; Eh | |||
![]() | 3-Feb-2025 | prod0-10beckm | Garcia Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31+G(D,P) | -439.221028513; Eh | |||
![]() | 3-Feb-2025 | prod0-1beckm | Garcia Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31+G(D,P) | -133.023888229; Eh | |||
![]() | 3-Feb-2025 | prod0-2beckm | Garcia Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31+G(D,P) | -172.334325655; Eh | |||
![]() | 3-Feb-2025 | prod0-3beckm | Garcia Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31+G(D,P) | -210.396113160; Eh | |||
![]() | 3-Feb-2025 | prod0-4beckm | Garcia Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31+G(D,P) | -271.529173860; Eh | |||
![]() | 3-Feb-2025 | prod0-5beckm | Garcia Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31+G(D,P) | -469.969583696; Eh | |||
![]() | 3-Feb-2025 | prod0-6beckm | Garcia Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31+G(D,P) | -247.496290310; Eh | |||
![]() | 3-Feb-2025 | prod0-8beckm | Garcia Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31+G(D,P) | -324.714448420; Eh | |||
![]() | 3-Feb-2025 | prod0-9beckm | Garcia Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31+G(D,P) | -340.724972335; Eh | |||
![]() | 3-Feb-2025 | prod1-0beckm | Garcia Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31+G(D,P) | -133.005466346; Eh | |||
![]() | 3-Feb-2025 | prod1-10beckm | Garcia Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31+G(D,P) | -478.539284257; Eh | |||
![]() | 3-Feb-2025 | prod1-1beckm | Garcia Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31+G(D,P) | -172.348151958; Eh | |||
![]() | 3-Feb-2025 | prod1-2beckm | Garcia Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31+G(D,P) | -211.657529051; Eh | |||
![]() | 3-Feb-2025 | prod1-3beckm | Garcia Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31+G(D,P) | -249.719217555; Eh | |||
![]() | 3-Feb-2025 | prod1-4beckm | Garcia Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31+G(D,P) | -310.853852712; Eh | |||
![]() | 3-Feb-2025 | prod1-5beckm | Garcia Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31+G(D,P) | -509.296575725; Eh | |||
![]() | 3-Feb-2025 | prod1-6beckm | Garcia Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31+G(D,P) | -286.821661030; Eh | |||
![]() | 3-Feb-2025 | prod1-8beckm | Garcia Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31+G(D,P) | -364.034885359; Eh |