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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Feb-2018 | A_TS1_com | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Single point Structure | RM062X | - | -2023.35729579; Eh | |||
 | 20-Feb-2018 | /ketimine/1l ketimine_1l_d | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -746.220839018; Eh | |||
 | 20-Feb-2018 | /ketimine/1l ketimine_1l_b | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Single point Structure | RM062X | - | - | |||
 | 20-Feb-2018 | /ketimine/1l ketimine_1l_a | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Single point Structure | RM062X | - | - | |||
 | 20-Feb-2018 | /ketimine/1l ketimine_1l_e | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -746.218194096; Eh | |||
 | 20-Feb-2018 | /ketimine/1l ketimine_1l_f | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -746.223786344; Eh | |||
 | 20-Feb-2018 | /ketimine/1l ketimine_1l_g | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -746.220033391; Eh | |||
 | 20-Feb-2018 | /ketimine/1k ketimine_1k_g | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Single point Structure | RM062X | - | - | |||
 | 20-Feb-2018 | /ketimine/1k ketimine_1k_f | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -836.175705444; Eh | |||
 | 20-Feb-2018 | /ketimine/1k ketimine_1k_e | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -836.172007588; Eh | |||
 | 20-Feb-2018 | /ketimine/1k ketimine_1k_d | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -836.174357634; Eh | |||
 | 20-Feb-2018 | /ketimine/1k ketimine_1k_a | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Single point Structure | RM062X | - | - | |||
 | 20-Feb-2018 | /ketimine/1k ketimine_1k_b | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Single point Structure | RM062X | - | - | |||
 | 20-Feb-2018 | /ketimine/1j ketimine_1j_d | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -746.226212827; Eh | |||
 | 20-Feb-2018 | /ketimine/1j ketimine_1j_b | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Single point Structure | RM062X | - | - | |||
 | 20-Feb-2018 | /ketimine/1j ketimine_1j_f | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -746.228165471; Eh | |||
 | 20-Feb-2018 | /ketimine/1j ketimine_1j_e | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -746.222112836; Eh | |||
 | 20-Feb-2018 | /ketimine/1j ketimine_1j_g | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -746.222927325; Eh | |||
 | 20-Feb-2018 | /ketimine/1j ketimine_1j_a | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Single point Structure | RM062X | - | - | |||
 | 20-Feb-2018 | /ketimine/1m ketimine_1m_g | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -1091.30704660; Eh |