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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Feb-2018 | /deprotonated/1m ketimine_1m_f | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -1090.71467838; Eh | |||
 | 20-Feb-2018 | /deprotonated/1k ketimine_1k_f | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -835.591036215; Eh | |||
 | 20-Feb-2018 | /deprotonated/1j ketimine_1j_f | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -745.621751458; Eh | |||
 | 20-Feb-2018 | /deprotonated/1l ketimine_1l_e | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -745.605605524; Eh | |||
 | 20-Feb-2018 | /ketimine/1b ketimine_1b_d | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -631.741612435; 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_f | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -746.228165471; 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 | /mechanism/path_B B_PAC_com | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Single point Structure | RM062X | - | -2023.35898124; Eh | |||
 | 20-Feb-2018 | /deprotonated/1j ketimine_1j_b | Martin Somer, Ana | Gaussian; 09; EM64L-G09RevE.01 | Single point Structure | RM062X | - | - |
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