1. ioChem-Find
2. Barcelona Supercomputing Center

Preview	Title	Author(s)	Program	Method(s)	Basis Set	Energy	Solv.	Vibr.
	azoxystrobin_E_CONF13_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1389.4391067; Eh
	azoxystrobin_E_CONF16_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1389.439107; Eh
	azoxystrobin_E_CONF88_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1389.4391064; Eh
	azoxystrobin_E_CONF89_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1389.4391064; Eh
	azoxystrobin_E_CONF98_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1389.4391069; Eh
	azoxystrobin_E_CONF13_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1389.4639684; Eh
	azoxystrobin_E_CONF14_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1389.4641479; Eh
	azoxystrobin_E_CONF15_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1389.4641886; Eh
	azoxystrobin_E_CONF3_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1389.4636629; Eh
	azoxystrobin_E_CONF70_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1389.4643968; Eh
	azoxystrobin_E_CONF119_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1389.4617676; Eh
	azoxystrobin_E_CONF158_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1389.4640319; Eh
	azoxystrobin_E_CONF166_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1389.4631216; Eh
	azoxystrobin_E_CONF41_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1389.4620498; Eh
	azoxystrobin_E_CONF70_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1389.4629558; Eh
	azoxystrobin_Z_CONF33_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1389.432479; Eh
	azoxystrobin_Z_CONF34_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1389.4324792; Eh
	azoxystrobin_Z_CONF76_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1389.4310684; Eh
	azoxystrobin_Z_CONF77_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1389.4310693; Eh
	azoxystrobin_Z_CONF82_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1389.4310681; Eh