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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Nov-2020	/DHC CAS_DHC_TS_inv	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-163.8269134; Eh
	2-Nov-2020	/DHC CAS_DHC_P_H	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-30.0396036; Eh
	2-Nov-2020	/DGPC CAS_DGPC_P_OH	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-100.1907813; Eh
	2-Nov-2020	/DHC CAS_DHC_RI	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-164.7514637; Eh
	2-Nov-2020	/DHC CAS_DHC_S	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-268.1366529; Eh
	2-Nov-2020	/DHC CAS_DHC_RI_inv	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-167.2797539; Eh
	24-Jun-2020	thb-E-S	Sangita, Kachhap	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-250.1753418; Eh
	24-Jun-2020	ori-E-S	Sangita, Kachhap	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	0.419501; Eh
	24-Jun-2020	ori-TS1	Sangita, Kachhap	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	5.5361815; Eh
	24-Jun-2020	thb-E-P	Sangita, Kachhap	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-173.7680735; Eh

Results 31-40 of 134 (Search time: 0.001 seconds).