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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/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	/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)	-

Results 1-10 of 82 (Search time: 0.001 seconds).