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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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	/Theozyme Theozyme_TS-1	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RmPW1PW91	6-31+G(D,P)	-1340.98964424; Eh
	15-Jul-2022	/Theozyme Theozyme_TS-2	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RmPW1PW91	6-31+G(D,P)	-1340.98987110; Eh
	15-Jul-2022	/Water/M06-2X_6-311+G(d,p)__mPW1PW91_6-31+G(d,p) intermediate_A1	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	6-311+G(D,P)	-1264.6636442; Eh
	15-Jul-2022	/Water/M06-2X_6-311+G(d,p)__mPW1PW91_6-31+G(d,p) intermediate_A	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	6-311+G(D,P)	-1341.0811223; Eh
	15-Jul-2022	/Water/mPW1PW91_6-31+G(d,p) TS3	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RmPW1PW91	6-31+G(D,P)	-1264.57849983; Eh
	15-Jul-2022	/Water/B3LYP-D3(BJ)_6-311+Gdp_mPW1P9W1_6-31+G(d,p) intermediate_A2	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1265.2877435; Eh
	15-Jul-2022	/Water/B3LYP-D3(BJ)_6-311+Gdp_mPW1P9W1_6-31+G(d,p) intermediate_A1	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1265.2805399; Eh
	15-Jul-2022	/Water/B3LYP-D3(BJ)_6-311+Gdp_mPW1P9W1_6-31+G(d,p) intermediate_A	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1341.7343149; Eh

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