Browsing by Author dos Passos Gomes, Gabriel
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-Aug-2018 | alkyne_revcat_simple | dos Passos Gomes, Gabriel | Gaussian; 16; EM64M-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -116.602735488; Eh | |||
| 3-Aug-2018 | allene_revcat_simple | dos Passos Gomes, Gabriel | Gaussian; 16; EM64M-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -116.603066261; Eh | |||
| 3-Aug-2018 | guaMe2 | dos Passos Gomes, Gabriel | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -283.808404110; Eh | |||
| 3-Aug-2018 | rev_Pcat | dos Passos Gomes, Gabriel | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RM062X | - | -719.226003329; Eh | |||
| 3-Aug-2018 | rev_TS_gua | dos Passos Gomes, Gabriel | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UM062X | - | -608.119464565; Eh | |||
| 3-Aug-2018 | rev_TS_guaMe_2 | dos Passos Gomes, Gabriel | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RM062X | - | -686.704648052; Eh | |||
| 3-Aug-2018 | rev_TS_Pcat | dos Passos Gomes, Gabriel | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UM062X | - | -835.798987518; Eh | |||
| 3-Aug-2018 | rev_TS_TBD_ | dos Passos Gomes, Gabriel | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -841.536499015; Eh | |||
| 29-Jun-2018 | /upload A | dos Passos Gomes, Gabriel | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -402.909756394; 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 A_to_B_TS | dos Passos Gomes, Gabriel | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | - | - | -402.815738478; Eh | |||
| 29-Jun-2018 | /upload B | dos Passos Gomes, Gabriel | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -402.907939999; 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 B_gua_complex | dos Passos Gomes, Gabriel | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -608.216492277; 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/Desktop/alec/upload A_to_B_TS | dos Passos Gomes, Gabriel | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | - | - | -402.815738478; Eh | |||
| 29-Jun-2018 | /upload/Me_oDCB A | dos Passos Gomes, Gabriel | Gaussian; 09; AM64L-G09RevC.01 | Geometry optimization Minimum | RM062X | - | -1227.31668289; Eh | |||
| 29-Jun-2018 | /upload/Me_oDCB A_TS | dos Passos Gomes, Gabriel | Gaussian; 09; AM64L-G09RevC.01 | Geometry optimization TS | RM062X | - | -1227.24904348; Eh | |||
| 29-Jun-2018 | /upload/Me_oDCB B | dos Passos Gomes, Gabriel | Gaussian; 09; EM64L-G09RevC.01 | Geometry optimization Minimum | RM062X | - | -1227.27969329; Eh | |||
| 29-Jun-2018 | /upload/Me_oDCB B1_TS | dos Passos Gomes, Gabriel | Gaussian; 09; AM64L-G09RevC.01 | Single point Structure | - | - | -1689.04189703; Eh |