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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-May-2026/Ni_eta2_complexes/2-PyOTf Nidppf_e2_2PyOTf_A2_optRonson, Thomas; Rice, Scott; Nelson, David; Greaves, Megan; McVeigh, Nicholas; Munday, Rachel; Sproules, StephenOrca; 6.0.1; RELEASEGeometry optimization MinimumDFT--5975.91466722980658; Eh
thumbnail.jpeg12-May-2026/Ni_eta2_complexes/PhOTf Nidppf_e2_PhOTf_5_optRonson, Thomas; Rice, Scott; Nelson, David; Greaves, Megan; McVeigh, Nicholas; Munday, Rachel; Sproules, StephenOrca; 6.0.1; RELEASEGeometry optimization MinimumDFT--5960.00388961109820; Eh
thumbnail.jpeg12-May-2026/Ni_eta2_complexes/PhOTf Nidppf_e2_PhOTf_6_optRonson, Thomas; Rice, Scott; Nelson, David; Greaves, Megan; McVeigh, Nicholas; Munday, Rachel; Sproules, StephenOrca; 6.0.1; RELEASEGeometry optimization MinimumDFT--5960.00077209777191; Eh
thumbnail.jpeg12-May-2026/Ni_eta2_complexes/PhOTf Nidppf_e2_PhOTf_4_optRonson, Thomas; Rice, Scott; Nelson, David; Greaves, Megan; McVeigh, Nicholas; Munday, Rachel; Sproules, StephenOrca; 6.0.1; RELEASEGeometry optimization MinimumDFT--5960.00174959937613; Eh
thumbnail.jpeg12-May-2026/Ni_eta2_complexes/PhOTf Nidppf_e2_PhOTf_3_optRonson, Thomas; Rice, Scott; Nelson, David; Greaves, Megan; McVeigh, Nicholas; Munday, Rachel; Sproules, StephenOrca; 6.0.1; RELEASEGeometry optimization MinimumDFT--5960.00553826740725; Eh
thumbnail.jpeg12-May-2026/Ni_eta2_complexes/PhOTf Nidppf_e2_PhOTf_2_optRonson, Thomas; Rice, Scott; Nelson, David; Greaves, Megan; McVeigh, Nicholas; Munday, Rachel; Sproules, StephenOrca; 6.0.1; RELEASEGeometry optimization MinimumDFT--5959.99882522283406; Eh
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_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
Results 396901-396910 of 397032 (Search time: 0.215 seconds).