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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Dec-2021	penconazole_CONF7_gas	Pla Terrada, Paula	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1589.3826779; Eh
	8-Mar-2021	syn_11_exo_sc_11_-54	Merrill, Amy	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31+G(D,P)	-
	8-Mar-2021	syn_11_ap_7_-54	Merrill, Amy	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31+G(D,P)	-
	15-Nov-2022	carboxin_CONF12_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1068.7994662; Eh
	21-Dec-2021	penconazole_CONF28_octanol	Pla Terrada, Paula	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1589.4033495; Eh
	21-Dec-2021	penconazole_CONF37_octanol	Pla Terrada, Paula	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1589.4057066; Eh
	21-Dec-2021	penconazole_CONF43_octanol	Pla Terrada, Paula	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1589.4053803; Eh
	21-Dec-2021	penconazole_CONF6_octanol	Pla Terrada, Paula	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1589.4054658; Eh
	21-Dec-2021	penconazole_CONF11_water	Pla Terrada, Paula	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1589.3964335; Eh
	21-Dec-2021	penconazole_CONF15_water	Pla Terrada, Paula	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1589.3968736; Eh

Results 191-200 of 19262 (Search time: 0.004 seconds).