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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/M06-2X_6-311+G(d,p)__mPW1PW91_6-31+G(d,p) intermediate_C	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	6-311+G(D,P)	-1264.6679998; Eh
	19-Aug-2022	Glycothiohexidea_modified	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-31G(D)	-4318.74962033; Eh
	19-Aug-2022	NocathiacinI_modified	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-31G(D)	-4675.79965951; Eh
	19-Aug-2022	NocathiacinI	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-31G(D)	-6470.23994643; Eh
	19-Aug-2022	Glycothiohexidea	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-31G(D)	-6472.05691970; Eh
	9-Feb-2023	/enamine INT2c_DCM	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31G(D,P)	-1885.68148426; Eh
	9-Feb-2023	/Hammett TS_NMe2	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-31G(D,P)	-2039.23648441; Eh
	9-Feb-2023	/Hammett TS_NO2	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-31G(D,P)	-2109.75345216; Eh
	9-Feb-2023	/enamine INT1c_toluene	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31G(D,P)	-1885.67860938; Eh
	9-Feb-2023	/Hammett TS_OMe	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-31G(D,P)	-2019.80223544; Eh

Results 371-380 of 1009 (Search time: 0.001 seconds).