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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Jul-2022	/Water/B3LYP-D3(BJ)_6311+G(d,p) intermediate_A1	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-311+G(D,P)	-1265.28150985; Eh
	15-Jul-2022	/Water/B3LYP-D3(BJ)_6311+G(d,p) intermediate_A2	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-311+G(D,P)	-1265.28856683; Eh
	15-Jul-2022	/Water/B3LYP-D3(BJ)_6311+G(d,p) intermediate_A	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-311+G(D,P)	-1341.73528210; Eh
	15-Nov-2022	isopyrazam_anti_CONF15_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1215.6256305; Eh
	25-May-2023	endothall_CONF2_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-687.3102367; Eh
	25-May-2023	endothall_CONF4_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-687.3083693; Eh
	25-May-2023	endothall_CONF3_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-687.3093299; Eh
	25-May-2023	triaziflam_CONF154_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)	-1111.6094575; Eh
	15-Nov-2022	isopyrazam_anti_CONF3_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)	-1215.6350075; Eh
	25-May-2023	isoxaben_CONF14_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1111.1706929; Eh

Results 7811-7820 of 19262 (Search time: 0.008 seconds).