Supp_material.zip
fig3_neb_ccsd-in-lda_def2-asvp_xyz.txt
7.7 kB
fig3_neb_ccsd_def2-asvp_xyz.txt
7.7 kB
fig3_neb_lda_def2-asvp_xyz.txt
7.7 kB
fig4_neb_ccsd-in-pbe0_cc-pvdz_xyz.txt
74.7 kB
fig4_neb_energy_pbe0_cc-pvdz.txt
983 Bytes
fig4_neb_energy_pno-lccsd-in-pbe0_cc-pvdz.txt
843 Bytes
fig4_neb_energy_pno-lccsd_cc-pvdz.txt
843 Bytes
fig4_neb_pbe0_cc-pvdz_xyz.txt
87.7 kB
table1_ethanol_distorted_xyz.txt
579 Bytes
table2_ethanol_ccsd-in-lda_6-31g_xyz.txt
568 Bytes
table2_ethanol_ccsd_6-31g_xyz.txt
537 Bytes
table2_ethanol_lda_6-31g_xyz.txt
536 Bytes
table3_co_i-1_ccsd-in-ldax_def2tzvpp_def2svp_xyz.txt
2.4 kB
table3_co_i-1_ldax_def2tzvpp_def2svp_xyz.txt
2.4 kB