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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	2-Nov-2020	/DPC/re-position CAS_DPC_re-position_P_H2	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	32.3102884; Eh
	2-Nov-2020	/DPC/re-position CAS_DPC_re-position_TS_OH	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-109.0498481; Eh
	2-Nov-2020	/DPC/direct CAS_DPC_direct_TS_H2	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-102.0284163; Eh
	2-Nov-2020	/DPC/re-position CAS_DPC_re-position_TS_H2	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-103.1793484; Eh
	2-Nov-2020	/DPC/re-position CAS_DPC_re-position_RI	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-105.706899; Eh
	2-Nov-2020	/DPC/direct CAS_DPC_direct_TS_H1	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-261.0210478; Eh

Results 61-70 of 134 (Search time: 0.001 seconds).