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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Feb-202630_FREQ_PBE_DEF2-TZVP_DMSOAhmed, YusefOrca; 6.1.0; RELEASESingle point MinimumDFTDEF2-TZVP; CPCM(DMSO); def2/j-1576.18189506056046; Eh
thumbnail.jpeg18-Feb-202643_FREQ_CAM-B3LYP_DEF2-TZVP_DMSOAhmed, YusefOrca; 6.1.0; RELEASESingle point MinimumDFTDEF2-TZVP; CPCM(DMSO); def2/j-1652.52690861059864; Eh
thumbnail.jpeg18-Feb-202644_FREQ_O3LYP_DEF2-TZVP_DMSOAhmed, YusefOrca; 6.1.0; RELEASESingle point MinimumDFTDEF2-TZVP; CPCM(DMSO); def2/j-1725.96348109533369; Eh
thumbnail.jpeg18-Feb-202633_FREQ_TPSSH-D4_DEF2-TZVP_DMSOAhmed, YusefOrca; 6.1.0; RELEASESingle point MinimumDFTDEF2-TZVP; CPCM(DMSO); def2/j-1577.74177320108174; Eh
thumbnail.jpeg18-Feb-202624_FREQ_O3LYP_DEF2-TZVP_DMSOAhmed, YusefOrca; 6.1.0; RELEASESingle point MinimumDFTDEF2-TZVP; CPCM(DMSO); def2/j-1634.52906588009432; Eh
thumbnail.jpeg18-Feb-202633_FREQ_M062X_DEF2-TZVP_DMSOAhmed, YusefOrca; 6.1.0; RELEASESingle point MinimumDFTDEF2-TZVP; CPCM(DMSO); def2/j-1577.31348425118767; Eh
thumbnail.jpeg18-Feb-202643_FREQ_M06L_DEF2-TZVP_DMSOAhmed, YusefOrca; 6.1.0; RELEASESingle point MinimumDFTDEF2-TZVP; CPCM(DMSO); def2/j-1652.78223876150719; Eh
thumbnail.jpeg18-Feb-202630_FREQ_M06L_DEF2-TZVP_DMSOAhmed, YusefOrca; 6.1.0; RELEASESingle point MinimumDFTDEF2-TZVP; CPCM(DMSO); def2/j-1577.34593585175548; Eh
thumbnail.jpeg18-Feb-202643_FREQ_revPBE_DEF2-TZVP_DMSOAhmed, YusefOrca; 6.1.0; RELEASESingle point MinimumDFTDEF2-TZVP; CPCM(DMSO); def2/j-1652.52034542047249; Eh
thumbnail.jpeg18-Feb-202621_FREQ_TPSSh_DEF2-TZVP_DMSOAhmed, YusefOrca; 6.1.0; RELEASESingle point MinimumDFTDEF2-TZVP; CPCM(DMSO); def2/j-1199.14361781040475; Eh
Results 390311-390320 of 403353 (Search time: 0.201 seconds).