ioChem-BD Browse - UdG: Search

Search

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jun-2020	/extendedQM H6H_ONIOM_HAT1-C6_extended	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-229.684588; Eh
	23-Jun-2020	/extendedQM H6H_ONIOM_ES_extended	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-235.2462781; Eh
	23-Jun-2020	/extendedQM H6H_ONIOM_HAT1-C7_extended	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-231.3505186; Eh
	23-Jun-2020	H6H_ONIOM_TS_OH-C6	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-113.6636483; Eh
	23-Jun-2020	H6H_ONIOM_HAT1-C6	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-226.5627083; Eh
	23-Jun-2020	H6H_ONIOM_P_OH-C6	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-120.8049891; Eh
	23-Jun-2020	H6H_ONIOM_RI-C6	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-116.2352725; Eh
	23-Jun-2020	H6H_ONIOM_ES	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-236.350199; Eh
	23-Jun-2020	H6H_ONIOM_HAT2-C7	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-107.6871372; Eh
	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

Results 11-20 of 28 (Search time: 0.001 seconds).