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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	10-Aug-2022	/Theozyme_G16 Theozyme_TS-7	Soysal, Esra Nur	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization TS	RmPW1PW91	6-31+G(D,P)	-1496.77938063; Eh
	10-Aug-2022	/Theozyme_G16 Theozyme_TS-5	Soysal, Esra Nur	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization TS	RmPW1PW91	6-31+G(D,P)	-1417.41776805; Eh
	10-Aug-2022	/Theozyme_G16 Theozyme_TS-6	Soysal, Esra Nur	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization TS	RmPW1PW91	6-31+G(D,P)	-1454.29585120; Eh
	15-Jul-2022	/Water/mPW1PW91_6-311+G(d,p)__mPW1PW91_6-31+G(d,p) TS2	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RmPW1PW91	6-311+G(D,P)	-1264.8151557; Eh
	15-Jul-2022	/Chloroform/mPW1PW91_6-31+G(d,p) TS2	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RmPW1PW91	6-31+G(D,P)	-1264.54953585; Eh
	15-Jul-2022	/Theozyme intermediate_1	Soysal, Esra Nur	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RmPW1PW91	6-31+G(D,P)	-1341.03959245; Eh

Results 11-20 of 82 (Search time: 0.002 seconds).