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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jun-2020	H6H_ONIOM_HAT1-C7	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-229.6056239; Eh
	23-Jun-2020	H6H_ONIOM_P_H	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-20.4733895; Eh
	23-Jun-2020	H6H_HAT1_C7_piChannel	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-222.5232595; Eh
	23-Jun-2020	H6H_ONIOM_HAT1-C7pi	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-222.5232595; Eh
	23-Jun-2020	H6H_ONIOM_RI-C7pi	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-121.5556096; Eh
	23-Jun-2020	H6H_ONIOM_TS_OH-C7	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-110.4623288; Eh
	23-Jun-2020	H6H_ONIOM_RI-C7	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-116.6825587; Eh
	23-Jun-2020	H6H_ONIOM_HAT2-C6	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-139.4314116; Eh
	23-Jun-2020	H6H_ONIOM_P_OH-C7	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-145.9285437; Eh
	2-Nov-2020	/DPC/re-position CAS_DPC_re-position_S	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-266.3138109; Eh

Results 41-50 of 64 (Search time: 0.0 seconds).