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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2022	cation_B_alt_conformer	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RmPW1PW91	6-31+G(D,P)	-587.523551382; Eh
	7-Mar-2022	cation_A	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RmPW1PW91	6-31+G(D,P)	-587.514493539; Eh
	7-Mar-2022	cation_B	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RmPW1PW91	6-31+G(D,P)	-587.521341802; Eh
	7-Mar-2022	cation_C	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RmPW1PW91	6-31+G(D,P)	-587.495379694; Eh
	1-Dec-2022	D_Ole13cat_log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RmPW1PW91	6-31+G(D,P)	-1248.71900129; Eh
	1-Dec-2022	C_Lup20catShiftTSircFmin_log	Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RmPW1PW91	6-31+G(D,P)	-1248.72058411; Eh
	15-Jul-2022	/Theozyme intermediate_4	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RmPW1PW91	6-31+G(D,P)	-1341.03949203; Eh
	15-Jul-2022	/Theozyme intermediate_3	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RmPW1PW91	6-31+G(D,P)	-1341.03947550; Eh
	15-Jul-2022	/Chloroform/mPW1PW91_6-31+G(d,p) intermediate_A2	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RmPW1PW91	6-31+G(D,P)	-1264.59841533; Eh
	15-Jul-2022	/Chloroform/mPW1PW91_6-31+G(d,p) intermediate_A	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RmPW1PW91	6-31+G(D,P)	-1341.00695025; Eh

Results 11-20 of 181 (Search time: 0.001 seconds).