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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Mar-20238-chloro-2-methylquinoline_H2O_1_ACN_0_z_EhighHaack, AlexanderOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-973.92970838; Eh
thumbnail.jpeg7-Mar-20238-chloro-2-methylquinoline_H2O_1_ACN_0_a_EhighHaack, AlexanderOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-973.93327960; Eh
thumbnail.jpeg7-Mar-20238-chloro-2-methylquinoline_H2O_0_ACN_2_a_EhighHaack, AlexanderOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-1161.84667008; Eh
thumbnail.jpeg7-Mar-20238-chloro-2-methylquinoline_H2O_0_ACN_1_a_EhighHaack, AlexanderOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-1029.85491627; Eh
thumbnail.jpeg7-Mar-20238-chloro-2-methylquinoline_H2O_1_ACN_0_w_EhighHaack, AlexanderOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-973.93054968; Eh
thumbnail.jpeg7-Mar-20238-chloro-2-methylquinoline_H2O_0_ACN_1_x_EhighHaack, AlexanderOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-1029.85056711; Eh
thumbnail.jpeg7-Mar-20238-chloro-2-methylquinoline_H2O_0_ACN_0_a_EhighHaack, AlexanderOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-897.85645218; Eh
thumbnail.jpeg7-Mar-2023IPA_EhighHaack, AlexanderOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-193.20234285; Eh
thumbnail.jpeg7-Mar-2023ACN_EhighHaack, AlexanderOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-131.97879631; Eh
thumbnail.jpeg7-Mar-2023H2O_EhighHaack, AlexanderOrca; 5.0.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-76.06239435; Eh
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