ioChem-BD Browse - UdG: Search

Search

previous
1
2
3
4
5
...
7
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jun-2020	/LackingHydrogenBond H6H_ONIOM_P_H_2_noHbond	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-31.6935534; Eh
	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
	2-Nov-2020	/DGPC CAS_DGPC_RI	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-118.9490188; Eh
	2-Nov-2020	/DGPC CAS_DGPC_P_H2E	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-4.9178028; Eh
	2-Nov-2020	/DGPC CAS_DGPC_TS_OH	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-95.5719738; Eh
	2-Nov-2020	/DGPC CAS_DGPC_TS_H2Z	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-122.8223935; Eh
	2-Nov-2020	/DGPC CAS_DGPC_RIprim	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-117.1917246; Eh
	2-Nov-2020	/DHC CAS_DHC_P_OH	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-150.2224194; Eh
	2-Nov-2020	/DGPC CAS_DPGC_TS_H2E	Wojdyła, Zuzanna	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	ONIOM; B3LYP; AMBER	DUMMY MIXED	-119.932777; Eh

Results 11-20 of 64 (Search time: 0.001 seconds).