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Showing results 1 to 20 of 482  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required12-Jun-20252Co1Cu_Cu5mem_Cu1-5mem_NBOIeritano, ChristianOrca; 6.0.1; RELEASESingle pointDFTdef2-TZVPP; def2/J-8079.54596308844066; Eh
Login required12-Jun-20252Co1Cu_Cu5mem_Cu1_NBO_NspecificIeritano, ChristianOrca; 6.0.1; RELEASESingle pointDFTdef2-TZVPP; def2/J-8079.54596309729095; Eh
Login required12-Jun-20252Co1Cu_Cu5mem_Ni2-6mem_NBOIeritano, ChristianOrca; 6.0.1; RELEASESingle pointDFTdef2-TZVPP; def2/J-8079.54596308932742; Eh
Login required12-Jun-20252Co1Cu_Cu5mem_Ni2_NBO_NspecificIeritano, ChristianOrca; 6.0.1; RELEASESingle pointDFTdef2-TZVPP; def2/J-8079.54596309775116; Eh
Login required12-Jun-20252Co1Cu_Cu5mem_Ni3-apex_NBOIeritano, ChristianOrca; 6.0.1; RELEASESingle pointDFTdef2-TZVPP; def2/J-8079.54596310025136; Eh
Login required12-Jun-20252Co1Cu_Cu6mem_Cu1-6mem_NBOIeritano, ChristianOrca; 6.0.1; RELEASESingle pointDFTdef2-TZVPP; def2/J-8079.53775504948317; Eh
Login required12-Jun-20252Co1Cu_Cu6mem_Cu1_NBO_NspecificIeritano, ChristianOrca; 6.0.1; RELEASESingle pointDFTdef2-TZVPP; def2/J-8079.53775504949135; Eh
Login required12-Jun-20252Co1Cu_Cu6mem_Ni2-5mem_NBOIeritano, ChristianOrca; 6.0.1; RELEASESingle pointDFTdef2-TZVPP; def2/J-8079.53775504953319; Eh
Login required12-Jun-20252Co1Cu_Cu6mem_Ni2_NBO_NspecificIeritano, ChristianOrca; 6.0.1; RELEASESingle pointDFTdef2-TZVPP; def2/J-8079.53775504944770; Eh
Login required12-Jun-20252Co1Cu_Cu6mem_Ni3-apex_NBOIeritano, ChristianOrca; 6.0.1; RELEASESingle pointDFTdef2-TZVPP; def2/J-8079.53775504946589; Eh
Login required12-Jun-20252Co1Cu_CuApex_Cu3-apex_NBOIeritano, ChristianOrca; 6.0.1; RELEASESingle pointDFTdef2-TZVPP; def2/J-8079.54980824870472; Eh
Login required12-Jun-20252Co1Cu_CuApex_Ni1-6mem_NBOIeritano, ChristianOrca; 6.0.1; RELEASESingle pointDFTdef2-TZVPP; def2/J-8079.54980824375343; Eh
Login required12-Jun-20252Co1Cu_CuApex_Ni2-5mem_NBOIeritano, ChristianOrca; 6.0.1; RELEASESingle pointDFTdef2-TZVPP; def2/J-8079.54980824854556; Eh
Login required12-Jun-20252CoCu_Cu5mem_b3lypIeritano, ChristianOrca; 6.0.1; RELEASESingle pointDFTdef2-TZVPP; def2/J; CPCM(Acetonitrile)-8079.62145381097343; Eh
Login required12-Jun-20252CoCu_Cu5mem_FreqIeritano, ChristianOrca; 6.0.1; RELEASESingle point MinimumDFTdef2-TZVPP; def2/J; CPCM(Acetonitrile)-8082.01524031372901; Eh
Login required12-Jun-20252CoCu_Cu6mem_b3lypIeritano, ChristianOrca; 6.0.1; RELEASESingle pointDFTdef2-TZVPP; def2/J; CPCM(Acetonitrile)-8079.61705938252999; Eh
Login required12-Jun-20252CoCu_Cu6mem_FreqIeritano, ChristianOrca; 6.0.1; RELEASESingle pointDFTdef2-TZVPP; def2/J; CPCM(Acetonitrile)-8082.01291834642325; Eh
Login required12-Jun-20252CoCu_CuApex_b3lypIeritano, ChristianOrca; 6.0.1; RELEASESingle pointDFTdef2-TZVPP; def2/J; CPCM(Acetonitrile)-8079.61514392019762; Eh
Login required12-Jun-20252CoCu_CuApex_FreqIeritano, ChristianOrca; 6.0.1; RELEASESingle point MinimumDFTdef2-TZVPP; def2/J; CPCM(Acetonitrile)-8082.01006785084246; Eh
Login required12-Jun-20252Cu_5mem_NBOIeritano, ChristianOrca; 6.0.1; RELEASESingle pointDFTdef2-TZVPP; def2/J-5825.45986639415241; Eh
Showing results 1 to 20 of 482  next >