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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Dec-2021/MainMechanism/Ti Int5-2Garay Ruiz, DiegoADF; 2016Geometry optimizationPBETZ2P-21.40748181; Eh
thumbnail.jpeg22-Dec-2021/MainMechanism/Hf TS3Garay Ruiz, DiegoADF; 2016Transition statePBETZ2P-21.11129639; Eh
thumbnail.jpeg22-Dec-2021/MainMechanism/Hf Int2-2OGaray Ruiz, DiegoADF; 2016Geometry optimizationPBETZ2P-21.36179729; Eh
thumbnail.jpeg22-Dec-2021/MainMechanism/Hf Int3-2SGaray Ruiz, DiegoADF; 2016Geometry optimizationPBETZ2P-21.34580116; Eh
thumbnail.jpeg22-Dec-2021/MainMechanism/Hf TS3-outGaray Ruiz, DiegoADF; 2016Transition statePBETZ2P-
thumbnail.jpeg22-Dec-2021/MainMechanism/Ti Int3-2OGaray Ruiz, DiegoADF; 2016Geometry optimizationPBETZ2P-21.30251041; Eh
thumbnail.jpeg22-Dec-2021/MainMechanism/Ti TS3-2OGaray Ruiz, DiegoADF; 2016Transition statePBETZ2P-21.27633627; Eh
thumbnail.jpeg22-Dec-2021/MainMechanism/Ti TS3-outGaray Ruiz, DiegoADF; 2016Transition statePBETZ2P-
thumbnail.jpeg22-Dec-2021/MainMechanism/Hf Int1Garay Ruiz, DiegoADF; 2016Geometry optimizationPBETZ2P-24.37372184; Eh
thumbnail.jpeg22-Dec-2021/MainMechanism/Hf Int2Garay Ruiz, DiegoADF; 2016Geometry optimizationPBETZ2P-19.48265528; Eh
Results 1-10 of 219 (Search time: 0.002 seconds).