Browsing by Author Rodríguez Jiménez, Álvaro Manuel
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | /1-(4-Methoxyphenyl)ethanol 1-(4-Methoxyphenyl)ethanol_+1_2 | Rodríguez Jiménez, Álvaro Manuel | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | UTPSSTPSS | SVP | -500.150931312; Eh | |||
 | 28-Mar-2025 | /1-(4-Methoxyphenyl)ethanol 1-(4-Methoxyphenyl)ethanol_-1_1_C- | Rodríguez Jiménez, Álvaro Manuel | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | RTPSSTPSS | SVP | -499.788762601; Eh | |||
 | 28-Mar-2025 | /1-(4-Methoxyphenyl)ethanol 1-(4-Methoxyphenyl)ethanol_-1_1_O- | Rodríguez Jiménez, Álvaro Manuel | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | RTPSSTPSS | SVP | -499.816605639; Eh | |||
 | 28-Mar-2025 | /1-(4-Methoxyphenyl)ethanol 1-(4-Methoxyphenyl)ethanol_0_1 | Rodríguez Jiménez, Álvaro Manuel | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | RTPSSTPSS | SVP | -500.350494219; Eh | |||
 | 28-Mar-2025 | /1-(4-Methoxyphenyl)ethanol 1-(4-Methoxyphenyl)ethanol_0_2_C_radical | Rodríguez Jiménez, Álvaro Manuel | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | UTPSSTPSS | SVP | -499.720654632; Eh | |||
 | 28-Mar-2025 | /1-(4-Methoxyphenyl)ethanol 1-(4-Methoxyphenyl)ethanol_0_2_O_radical | Rodríguez Jiménez, Álvaro Manuel | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | UTPSSTPSS | SVP | -499.686826011; Eh | |||
 | 28-Mar-2025 | /1-(4-triphluoromethanephenyl)ethanol 1-(4-triphluoromethanephenyl)ethanol_+1_2 | Rodríguez Jiménez, Álvaro Manuel | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | UTPSSTPSS | SVP | -722.475826255; Eh | |||
 | 28-Mar-2025 | /1-(4-triphluoromethanephenyl)ethanol 1-(4-triphluoromethanephenyl)ethanol_-1_1_C- | Rodríguez Jiménez, Álvaro Manuel | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | RTPSSTPSS | SVP | -722.175440798; Eh | |||
 | 28-Mar-2025 | /1-(4-triphluoromethanephenyl)ethanol 1-(4-triphluoromethanephenyl)ethanol_-1_1_O- | Rodríguez Jiménez, Álvaro Manuel | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | RTPSSTPSS | SVP | -722.179648847; Eh | |||
 | 28-Mar-2025 | /1-(4-triphluoromethanephenyl)ethanol 1-(4-triphluoromethanephenyl)ethanol_0_2_O_radical | Rodríguez Jiménez, Álvaro Manuel | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | UTPSSTPSS | SVP | -722.043923901; Eh | |||
 | 28-Mar-2025 | /1-(4-triphluoromethanephenyl)ethanol 1-(4-triphluoromethanephenyl)ethanol_C_radical | Rodríguez Jiménez, Álvaro Manuel | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | UTPSSTPSS | SVP | -722.083337723; Eh | |||
 | 28-Mar-2025 | /1-(4-triphluoromethanephenyl)ethanol 1-(4-triphluoromethanephenyl)ethanol_charge_0_spin_1 | Rodríguez Jiménez, Álvaro Manuel | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | RTPSSTPSS | SVP | -722.709338694; Eh | |||
 | 28-Mar-2025 | /1-Phenylethanol 1-Phenylethanol_+1_2 | Rodríguez Jiménez, Álvaro Manuel | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | UTPSSTPSS | SVP | -385.669341794; Eh | |||
 | 28-Mar-2025 | /1-Phenylethanol 1-Phenylethanol_-1_1_C- | Rodríguez Jiménez, Álvaro Manuel | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | RTPSSTPSS | SVP | -385.342594502; Eh | |||
 | 28-Mar-2025 | /1-Phenylethanol 1-Phenylethanol_-1_1_O- | Rodríguez Jiménez, Álvaro Manuel | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | RTPSSTPSS | SVP | -385.361145142; Eh | |||
 | 28-Mar-2025 | /1-Phenylethanol 1-Phenylethanol_0_1 | Rodríguez Jiménez, Álvaro Manuel | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | RTPSSTPSS | SVP | -385.893702426; Eh | |||
 | 28-Mar-2025 | /1-Phenylethanol 1-Phenylethanol_0_2_C_radical | Rodríguez Jiménez, Álvaro Manuel | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | UTPSSTPSS | SVP | -385.264930731; Eh | |||
 | 28-Mar-2025 | /1-Phenylethanol 1-Phenylethanol_0_2_O_radical | Rodríguez Jiménez, Álvaro Manuel | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | UTPSSTPSS | SVP | -385.228820708; Eh | |||
 | 28-Mar-2025 | /9,10-Dihydroanthracene 9,10-Dihydroanthracene_+1_2 | Rodríguez Jiménez, Álvaro Manuel | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | UTPSSTPSS | SVP | -540.262224770; Eh | |||
 | 28-Mar-2025 | /9,10-Dihydroanthracene 9,10-Dihydroanthracene_-1_1 | Rodríguez Jiménez, Álvaro Manuel | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | RTPSSTPSS | SVP | -539.955705418; Eh |