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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/B3LYP_6-31+Gd_NMR/encapsulated_chloroform Ax-i-M-trs-M-trs-CHCl3t_Serapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02RB3LYP6-31+G(D)-4415.8381524; Eh
thumbnail.jpeg/B3LYP_6-31+Gd_NMR/encapsulated_chloroform Ax-i-M-trs-P-trs-CHCl3t-to-M-trs_Serapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02RB3LYP6-31+G(D)-4415.8349252; Eh
thumbnail.jpeg/B3LYP_6-31+Gd_NMR/encapsulated_chloroform Ax-i-M-trs-P-trs-CHCl3t-to-P-trs_Serapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02RB3LYP6-31+G(D)-4415.8327295; Eh
thumbnail.jpeg/B3LYP_6-31+Gd_NMR/encapsulated_chloroform Ax-i-P-trs-P-trs-CHCl3t_Serapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02RB3LYP6-31+G(D)-4415.828423; Eh
thumbnail.jpeg/B3LYP_6-31+Gd_optimisation_frequencies/encapsulated_chloroform Ax-i-M-trs-M-trs-CHCl3t_B3LYP_6-31plGd_chloroformSMD_optimisatioSerapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02RB3LYP6-31+G(D)-4415.83815245; Eh
thumbnail.jpeg/B3LYP_6-31+Gd_optimisation_frequencies/encapsulated_chloroform Ax-i-M-trs-P-cis-CHCl3t-to-M-trs_B3LYP_6-31plGd_chloroformSMD_opSerapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02RB3LYP6-31+G(D)-4415.81894632; Eh
thumbnail.jpeg/B3LYP_6-31+Gd_optimisation_frequencies/encapsulated_chloroform Ax-i-M-trs-P-cis-CHCl3t-to-P-cis_B3LYP_6-31plGd_chloroformSMD_opSerapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02RB3LYP6-31+G(D)-4415.82251618; Eh
thumbnail.jpeg/B3LYP_6-31+Gd_optimisation_frequencies/encapsulated_chloroform Ax-i-M-trs-P-trs-CHCl3t-to-M-trs_B3LYP_6-31plGd_chloroformSMD_opSerapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02RB3LYP6-31+G(D)-4415.83492517; Eh
thumbnail.jpeg/B3LYP_6-31+Gd_optimisation_frequencies/encapsulated_chloroform Ax-i-M-trs-P-trs-CHCl3t-to-P-trs_B3LYP_6-31plGd_chloroformSMD_opSerapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02RB3LYP6-31+G(D)-4415.83272953; Eh
thumbnail.jpeg/B3LYP_6-31+Gd_optimisation_frequencies/encapsulated_chloroform Ax-i-P-trs-M-cis-CHCl3t-to-M-cis_B3LYP_6-31plGd_chloroformSMD_opSerapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02RB3LYP6-31+G(D)-4415.80330775; Eh
thumbnail.jpeg/B3LYP_6-31+Gd_optimisation_frequencies/encapsulated_chloroform Ax-i-P-trs-M-cis-CHCl3t-to-P-trs_B3LYP_6-31plGd_chloroformSMD_opSerapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02RB3LYP6-31+G(D)-4415.80035076; Eh
thumbnail.jpeg/B3LYP_6-31+Gd_optimisation_frequencies/encapsulated_chloroform Ax-i-P-trs-P-trs-CHCl3t_B3LYP_6-31plGd_chloroformSMD_optimisatioSerapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02RB3LYP6-31+G(D)-4415.82842295; Eh
thumbnail.jpeg/B3LYP_6-31+Gd_optimisation_frequencies/encapsulated_chloroform Eq-i-P-trs-P-trs-eqax-CHCl3t_B3LYP_6-31plGd_chloroformSMD_optimiSerapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02RB3LYP6-31+G(D)-4415.80585052; Eh
thumbnail.jpeg/B3LYP_6-31+Gd_optimisation_frequencies/encapsulated_chloroform Eq-o-P-cis-P-cis-CHCl3t_B3LYP_6-31plGd_chloroformSMD_optimisatioSerapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02RB3LYP6-31+G(D)-4415.77279178; Eh
thumbnail.jpeg/M06-2X_6-31+Gd_optimisation_frequencies/encapsulated_chloroform Ax-i-M-trs-M-trs-CHCl3t_M06-2X_6-31plGd_chloroformSMD_opt_frequeSerapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02RM062X6-31+G(D)-4414.45620484; Eh
thumbnail.jpeg/M06-2X_6-31+Gd_optimisation_frequencies/encapsulated_chloroform Ax-i-M-trs-P-cis-CHCl3t-to-M-trs_M06-2X_6-31plGd_chloroformSMD_oSerapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02RM062X6-31+G(D)-4414.44210165; Eh
thumbnail.jpeg/M06-2X_6-31+Gd_optimisation_frequencies/encapsulated_chloroform Ax-i-M-trs-P-cis-CHCl3t-to-P-cis_M06-2X_6-31plGd_chloroformSMD_oSerapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02RM062X6-31+G(D)-4414.45133140; Eh
thumbnail.jpeg/M06-2X_6-31+Gd_optimisation_frequencies/encapsulated_chloroform Ax-i-M-trs-P-trs-CHCl3t-to-M-trs_M06-2X_6-31plGd_chloroformSMD_oSerapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02RM062X6-31+G(D)-4414.45575776; Eh
thumbnail.jpeg/M06-2X_6-31+Gd_optimisation_frequencies/encapsulated_chloroform Ax-i-M-trs-P-trs-CHCl3t-to-P-trs_M06-2X_6-31plGd_chloroformSMD_oSerapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02RM062X6-31+G(D)-4414.45109021; Eh
thumbnail.jpeg/M06-2X_6-31+Gd_optimisation_frequencies/encapsulated_chloroform Ax-i-P-trs-M-cis-CHCl3t-to-M-cis_M06-2X_6-31plGd_chloroformSMD_oSerapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02RM062X6-31+G(D)-4414.43794515; Eh
thumbnail.jpeg/M06-2X_6-31+Gd_optimisation_frequencies/encapsulated_chloroform Ax-i-P-trs-M-cis-CHCl3t-to-P-trs_M06-2X_6-31plGd_optISerapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02-6-31+G(D)-4414.43413606; Eh
thumbnail.jpeg/M06-2X_6-31+Gd_optimisation_frequencies/encapsulated_chloroform Eq-i-P-trs-P-trs-eqax-CHCl3t_M06-2X_6-31plGd_chloroformSMD_optISerapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02-6-31+G(D)-4414.43085025; Eh
thumbnail.jpeg/M06-2X_6-31+Gd_optimisation_frequencies/encapsulated_chloroform Eq-i-P-trs-P-trs-eqax-CHCl3t_M06-2X_6-31plGd_chloroformSMD_optIISerapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02RM062X6-31+G(D)-4414.43878744; Eh
thumbnail.jpeg/M06-2X_6-31+Gd_optimisation_frequencies/encapsulated_chloroform Eq-o-P-cis-P-cis-CHCl3t_M06-2X_6-31plGd_chloroformSMD_optISerapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02-6-31+G(D)-4414.40894937; Eh
thumbnail.jpeg/M06-2X_6-31+Gd_optimisation_frequencies/encapsulated_chloroform Eq-o-P-cis-P-cis-CHCl3t_M06-2X_6-31plGd_chloroformSMD_optII_freqSerapian, Stefano A.Gaussian; 16; ES64L-G16RevC.02RM062X6-31+G(D)-4414.40896257; Eh
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