ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
71
72
73
74
75
76
77
...
78
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Dec-2021	MIN88	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-363.0957263; Eh
	1-Dec-2021	MIN155	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-363.0622867; Eh
	1-Dec-2021	TS99	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X; RCCSD	GEN AUG-CC-PVTZ	-363.0087215; Eh
	1-Dec-2021	TS14	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X; RCCSD	GEN AUG-CC-PVTZ	-363.0578445; Eh
	1-Dec-2021	PR155	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-323.8857545; Eh
	1-Dec-2021	CH2	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-39.0645694; Eh
	1-Dec-2021	TS452	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X; RCCSD	GEN AUG-CC-PVTZ	-362.9813531; Eh
	1-Dec-2021	MIN405	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X; RCCSD	GEN AUG-CC-PVTZ	-363.0088793; Eh
	1-Dec-2021	TS200	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X; RCCSD	GEN AUG-CC-PVTZ	-362.9951685; Eh
	1-Dec-2021	TS256	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM062X; RCCSD	GEN AUG-CC-PVTZ	-362.9836138; Eh

Results 731-740 of 771 (Search time: 0.002 seconds).