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Exo_TS1_G16_PCM_carbon_tetrachloride_v_01

Name: Exo_TS1_G16_PCM_carbon_tetrachloride_v_01
Creator: Lee, Siwoo
Keywords: InChI=1S/C9H12OS/c1-11-7-12-9(10)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-/m0/s1, FYDBOVZHGMIMCA-UHFFFAOYSA-N, -823.392982, InChI=1S/C7H7O.C2H5S/c8-6-7-4-2-1-3-5-7;1-3-2/h1-5H,6H2;1H2,2H3, WBHJKGALGKGKMM-VIFPVBQESA-N

Research datakeyboard_double_arrow_right Dataset 01 Jan 2023Publisher:Zenodo

Authors: Lee, Siwoo;

doi: 10.5281/zenodo.8280238 , 10.14469/hpc/13137 , 10.5281/zenodo.8280239

Exo_TS1_G16_PCM_carbon_tetrachloride_v_01

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Abstract

Gaussian 16 (C01) calculation

Related Organizations

Imperial College London
United Kingdom

Keywords

InChI=1S/C9H12OS/c1-11-7-12-9(10)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-/m0/s1, FYDBOVZHGMIMCA-UHFFFAOYSA-N, -823.392982, InChI=1S/C7H7O.C2H5S/c8-6-7-4-2-1-3-5-7;1-3-2/h1-5H,6H2;1H2,2H3, WBHJKGALGKGKMM-VIFPVBQESA-N

1 Research products, page 1 of 1

Exo TS1 B3LYP/6-31+G(d,p) Model
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Exo_TS1_G16_PCM_carbon_tetrachloride_v_01

Exo_TS1_G16_PCM_carbon_tetrachloride_v_01

1 Research products, page 1 of 1

Exo TS1 B3LYP/6-31+G(d,p) Model