Search        

Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-May-2026/Ni_eta2_complexes/2-PyOTf Nidppf_e2_2PyOTf_A3_spRonson, Thomas; Rice, Scott; Nelson, David; Greaves, Megan; McVeigh, Nicholas; Munday, Rachel; Sproules, StephenOrca; 6.1.0; RELEASESingle pointDFTma-def2-qzvp-5976.69521070602877; Eh
thumbnail.jpeg12-May-2026/Ni_eta2_complexes/2-PyOTf Nidppf_e2_2PyOTf_A1_spRonson, Thomas; Rice, Scott; Nelson, David; Greaves, Megan; McVeigh, Nicholas; Munday, Rachel; Sproules, StephenOrca; 6.1.0; RELEASESingle pointDFTma-def2-qzvp-5976.69983520516507; Eh
thumbnail.jpeg12-May-2026/Ni_eta2_complexes/2-PyOTf Nidppf_e2_2PyOTf_A4_spRonson, Thomas; Rice, Scott; Nelson, David; Greaves, Megan; McVeigh, Nicholas; Munday, Rachel; Sproules, StephenOrca; 6.1.0; RELEASESingle pointDFTma-def2-qzvp-5976.69550725145746; Eh
thumbnail.jpeg12-May-2026/Ni_eta2_complexes/2-PyOTf Nidppf_e2_2PyOTf_A5_spRonson, Thomas; Rice, Scott; Nelson, David; Greaves, Megan; McVeigh, Nicholas; Munday, Rachel; Sproules, StephenOrca; 6.1.0; RELEASESingle pointDFTma-def2-qzvp-5976.70264356752978; Eh
thumbnail.jpeg12-May-2026/Ni_eta2_complexes/2-PyOTf Nidppf_e2_2PyOTf_A6_spRonson, Thomas; Rice, Scott; Nelson, David; Greaves, Megan; McVeigh, Nicholas; Munday, Rachel; Sproules, StephenOrca; 6.1.0; RELEASESingle pointDFTma-def2-qzvp-5976.69755866309242; Eh
thumbnail.jpeg12-May-2026/Ni_eta2_complexes/2-PyOTf Nidppf_e2_2PyOTf_A2_spRonson, Thomas; Rice, Scott; Nelson, David; Greaves, Megan; McVeigh, Nicholas; Munday, Rachel; Sproules, StephenOrca; 6.1.0; RELEASESingle pointDFTma-def2-qzvp-5976.69052410595214; Eh
thumbnail.jpeg12-May-2026/Ni_eta2_complexes/2-PyOTf Nidppf_e2_2PyOTf_B5_optRonson, Thomas; Rice, Scott; Nelson, David; Greaves, Megan; McVeigh, Nicholas; Munday, Rachel; Sproules, StephenOrca; 6.0.1; RELEASEGeometry optimization MinimumDFT--5975.94127219612346; Eh
thumbnail.jpeg12-May-2026/Ni_eta2_complexes/2-PyOTf Nidppf_e2_2PyOTf_B4_optRonson, Thomas; Rice, Scott; Nelson, David; Greaves, Megan; McVeigh, Nicholas; Munday, Rachel; Sproules, StephenOrca; 6.0.1; RELEASEGeometry optimization MinimumDFT--5975.94384382124736; Eh
thumbnail.jpeg12-May-2026/Ni_eta2_complexes/2-PyOTf Nidppf_e2_2PyOTf_B6_optRonson, Thomas; Rice, Scott; Nelson, David; Greaves, Megan; McVeigh, Nicholas; Munday, Rachel; Sproules, StephenOrca; 6.0.1; RELEASEGeometry optimization MinimumDFT--5975.94194812896785; Eh
thumbnail.jpeg12-May-2026/NiII_final/3-PyOTf NiOTf3Pydppf_spRonson, Thomas; Rice, Scott; Nelson, David; Greaves, Megan; McVeigh, Nicholas; Munday, Rachel; Sproules, StephenOrca; 6.1.0; RELEASESingle pointDFTma-def2-qzvp-5976.74410488820376; Eh
Results 397521-397530 of 397867 (Search time: 0.273 seconds).