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Showing results 2782 to 2801 of 5692 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Feb-2019K_AdCNLledó, AgustíGaussian; 09; ES64L-G09RevE.01Single point StructureRPM6--
Login required26-Feb-2025kelly-0-2w-ox_1_2Swart, MarcelOrca; 6.0.0; RELEASESingle point---2421.02182032710971; Eh
Login required26-Feb-2025kelly-0-2w_0_1Swart, MarcelOrca; 6.0.0; RELEASEGeometry optimization Minimum---2421.15759052786416; Eh
Login required26-Feb-2025kelly-1-2w-MgClO4-ox_1_2Swart, MarcelOrca; 6.0.0; RELEASEGeometry optimization---4984.96996034598124; Eh
Login required26-Feb-2025kelly-1-2w-MgClO4_0_1Swart, MarcelOrca; 6.0.0; RELEASEGeometry optimization---4985.14791651199630; Eh
Login required26-Feb-2025kelly-1-2w-NaClO4-ox_1_2Swart, MarcelOrca; 6.0.0; RELEASEGeometry optimization Minimum---4186.56827466406503; Eh
Login required26-Feb-2025kelly-1-2w-NaClO4_0_1Swart, MarcelOrca; 6.0.0; RELEASEGeometry optimization Minimum---4185.87764265540318; Eh
Login required26-Feb-2025kelly-1-2w-ox_1_2Swart, MarcelOrca; 6.0.0; RELEASEGeometry optimization---3263.63371751415434; Eh
Login required26-Feb-2025kelly-1-2w_0_1Swart, MarcelOrca; 6.0.0; RELEASEGeometry optimization Minimum---3263.81216388945177; Eh
Login required26-Feb-2025kelly-2-2w-MgClO4-ox_1_2Swart, MarcelOrca; 6.0.0; RELEASEGeometry optimization---7588.21007710005142; Eh
Login required26-Feb-2025kelly-2-2w-MgClO4_0_1Swart, MarcelOrca; 6.0.0; RELEASEGeometry optimization---7586.89206078666757; Eh
Login required26-Feb-2025kelly-2-2w-NaClO4-ox_1_2Swart, MarcelOrca; 6.0.0; RELEASEGeometry optimization---5990.13953331383527; Eh
Login required26-Feb-2025kelly-2-2w-NaClO4_0_1Swart, MarcelOrca; 6.0.0; RELEASEGeometry optimization---5990.31435858962868; Eh
Login required26-Feb-2025kelly-2-2w-ox_1_2Swart, MarcelOrca; 6.0.0; RELEASEGeometry optimization Minimum---4145.57580564894306; Eh
Login required26-Feb-2025kelly-2-2w_0_1Swart, MarcelOrca; 6.0.0; RELEASEGeometry optimization Minimum---4145.74767854348102; Eh
thumbnail.jpeg28-Jul-2022KIE_RC_S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-4883.5405296; Eh
thumbnail.jpeg28-Jul-2022KIE_RC_S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-4883.5243857; Eh
thumbnail.jpeg28-Jul-2022KIE_TS_carb-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2SVP-3974.64865664; Eh
thumbnail.jpeg28-Jul-2022KIE_ts_oxo_S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2SVP-4879.60256632; Eh
Login required13-May-2021kitelopez, ricardGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-31G(D)-
Showing results 2782 to 2801 of 5692 < previous   next >