ioChem-Find: Search

Search

Results/Page

Sort items by

In order

Item hits:

Title	Author(s)	Program	Method(s)	Basis Set	Energy
bentazon_CONF1_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1121.966273; Eh
bentazon_CONF2_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1121.9662055; Eh
bentazon_CONF1_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1121.9845108; Eh
bentazon_CONF2_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1121.9841516; Eh
bentazon_CONF1_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1121.983924; Eh
bentazon_CONF2_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1121.9839097; Eh
bromoxynil_CONF1_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-5546.954046; Eh
bromoxynil_CONF1_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-5546.9670156; Eh
bromoxynil_CONF1_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-5546.9617484; Eh
ioxynil_CONF1_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) LANL2DZ 6-311+G(3DF,2P) GEN	-421.4224742; Eh
ioxynil_CONF1_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) LANL2DZ 6-311+G(3DF,2P) GEN	-421.4356177; Eh
ioxynil_CONF1_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) LANL2DZ 6-311+G(3DF,2P) GEN	-421.4375306; Eh
pyridate_CONF4_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1856.6535021; Eh
pyridate_CONF5_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1856.653502; Eh
pyridate_CONF6_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1856.6535021; Eh
pyridate_CONF69_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1856.6527301; Eh
pyridate_CONF7_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1856.6535021; Eh
pyridate_CONF4_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1856.6746764; Eh
pyridate_CONF419_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1856.676292; Eh
pyridate_CONF5_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1856.6746761; Eh
pyridate_CONF6_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1856.6746753; Eh
pyridate_CONF69_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1856.6738033; Eh
pyridate_CONF20_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1856.6656378; Eh
pyridate_CONF4_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1856.6661207; Eh
pyridate_CONF419_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1856.6686872; Eh