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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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/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_OH	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-109.0498481; 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_P_H2	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	41.8972671; 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
	2-Nov-2020	/DPC/direct CAS_DPC_direct_TS_OH	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-102.3620835; Eh
	2-Nov-2020	/DPC/direct CAS_DPC_direct_RI	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-104.081052; Eh
	2-Nov-2020	/DPC/re-position CAS_DPC_re-position_RIprim	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-114.9243331; Eh

Results 51-60 of 64 (Search time: 0.0 seconds).