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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
29-Jun-2018 | /upload/Me_oDCB C | dos Passos Gomes, Gabriel | Gaussian; 09; AM64L-G09RevC.01 | Geometry optimization Minimum | RM062X | - | -1227.31956282; Eh | ||||
29-Jun-2018 | /upload/prototype B | dos Passos Gomes, Gabriel | Gaussian; 09; EM64L-G09RevC.01 | Geometry optimization Minimum | RM062X | - | -596.903248275; Eh | ||||
29-Jun-2018 | /upload/prototype A | dos Passos Gomes, Gabriel | Gaussian; 09; EM64L-G09RevC.01 | Geometry optimization Minimum | RM062X | - | -596.916243203; Eh | ||||
3-Aug-2018 | alkyne_revcat_simple | dos Passos Gomes, Gabriel | Gaussian; 16; EM64M-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -116.602735488; Eh | ||||
29-Jun-2018 | /upload B_gua_complex | dos Passos Gomes, Gabriel | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -608.216492277; Eh | ||||
29-Jun-2018 | /upload A_gua_complex | dos Passos Gomes, Gabriel | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -608.215839587; Eh | ||||
29-Jun-2018 | /upload B_an_Ph | dos Passos Gomes, Gabriel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -386.272170812; Eh | ||||
29-Jun-2018 | /upload gua | dos Passos Gomes, Gabriel | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -205.298087544; Eh | ||||
29-Jun-2018 | /upload A | dos Passos Gomes, Gabriel | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -402.909756394; Eh | ||||
3-Aug-2018 | allene_revcat_simple | dos Passos Gomes, Gabriel | Gaussian; 16; EM64M-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -116.603066261; Eh |
Results 1-10 of 18 (Search time: 0.001 seconds).