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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) TS5	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	6-311+G(D,P)	-1569.59773068; 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
	15-Jul-2022	/Chloroform/mPW1PW91_6-31+G(d,p) intermediate_B	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RmPW1PW91	6-31+G(D,P)	-1264.57152917; Eh
	15-Jul-2022	/Theozyme Theozyme_TS-7	Soysal, Esra Nur	Gaussian; 09; EM64L-G09RevB.01	Geometry optimization TS	RmPW1PW91	6-31+G(D,P)	-1496.77931112; Eh
	15-Jul-2022	/Theozyme intermediate_7	Soysal, Esra Nur	Gaussian; 09; EM64L-G09RevB.01	Geometry optimization Minimum	RmPW1PW91	6-31+G(D,P)	-
	10-Aug-2022	/Theozyme_G16 intermediate_5	Soysal, Esra Nur	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	RmPW1PW91	6-31+G(D,P)	-1417.46750352; Eh
	10-Aug-2022	/Theozyme_G16 intermediate_7	Soysal, Esra Nur	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	RmPW1PW91	6-31+G(D,P)	-1496.83095760; Eh
	10-Aug-2022	/Theozyme_G16 intermediate_6	Soysal, Esra Nur	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	RmPW1PW91	6-31+G(D,P)	-1454.34745738; Eh
	10-Aug-2022	/Theozyme_G16 Theozyme_TS-4	Soysal, Esra Nur	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RmPW1PW91	6-31+G(D,P)	-1340.98989396; Eh

Results 11-20 of 115 (Search time: 0.001 seconds).