1. ioChem-Find
2. Barcelona Supercomputing Center

Preview	Title	Author(s)	Program	Method(s)	Basis Set	Energy	Solv.	Vibr.
	fluxapyroxad_CONF1_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1432.3573834; Eh
	fluxapyroxad_CONF10_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1432.3553612; Eh
	fluxapyroxad_CONF2_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1432.3573832; Eh
	fluxapyroxad_CONF3_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1432.3553609; Eh
	fluxapyroxad_CONF4_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1432.3571603; Eh
	fluxapyroxad_CONF5_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1432.35716; Eh
	fluxapyroxad_CONF6_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1432.3571602; Eh
	fluxapyroxad_CONF7_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1432.3571605; Eh
	fluxapyroxad_CONF8_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1432.3553613; Eh
	fluxapyroxad_CONF9_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1432.3553605; Eh
	fluxapyroxad_CONF1_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1432.3794859; Eh
	fluxapyroxad_CONF10_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1432.3773757; Eh
	fluxapyroxad_CONF13_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1432.3768527; Eh
	fluxapyroxad_CONF20_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1432.3768079; Eh
	fluxapyroxad_CONF23_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1432.3760425; Eh
	fluxapyroxad_CONF24_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1432.3760564; Eh
	fluxapyroxad_CONF25_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1432.3761364; Eh
	fluxapyroxad_CONF26_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1432.3761362; Eh
	fluxapyroxad_CONF27_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1432.3761549; Eh
	fluxapyroxad_CONF3_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1432.3787444; Eh