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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | dichlofluanid_CONF1_gas | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -2426.5007402; Eh | ||
 | dichlofluanid_CONF34_gas | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -2426.5003724; Eh | ||
 | dichlofluanid_CONF38_gas | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -2426.5003721; Eh | ||
 | dichlofluanid_CONF5_gas | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -2426.5000665; Eh | ||
 | dichlofluanid_CONF82_gas | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -2426.5003744; Eh | ||
 | dichlofluanid_CONF1_octanol | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -2426.5188589; Eh | ||
 | dichlofluanid_CONF34_octanol | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -2426.5180106; Eh | ||
 | dichlofluanid_CONF40_octanol | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -2426.5162182; Eh | ||
 | dichlofluanid_CONF45_octanol | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -2426.5174135; Eh | ||
 | dichlofluanid_CONF5_octanol | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -2426.5183266; Eh | ||
 | dichlofluanid_CONF1_water | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -2426.5139473; Eh | ||
 | dichlofluanid_CONF34_water | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -2426.5131798; Eh | ||
 | dichlofluanid_CONF38_water | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -2426.5131801; Eh | ||
 | dichlofluanid_CONF45_water | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -2426.5127617; Eh | ||
 | dichlofluanid_CONF5_water | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -2426.5136272; Eh |
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