ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
133
134
135
136
137
138
139
...
145
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Apr-2024	TS3	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-311G(D,P)	-804.929670875; Eh
	30-Apr-2024	TS4	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-311G(D,P)	-804.965621462; Eh
	30-Apr-2024	TS8_prime	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-311G* SDD GENECP*	-11220.5475575; Eh
	30-Apr-2024	TS6_prime	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-311G* SDD GENECP*	-11220.5486339; Eh
	30-Apr-2024	TS7_prime	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-311G* SDD GENECP*	-11220.5077811; Eh
	30-Apr-2024	TS7	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-311G* SDD GENECP*	-11220.5071063; Eh
	30-Apr-2024	TS8	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-311G* SDD GENECP*	-11220.5482410; Eh
	30-Apr-2024	TS6	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-311G* SDD GENECP*	-11220.5516369; Eh
	30-Apr-2024	TS4_prime	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-311G(D,P)	-804.965010747; Eh
	30-Apr-2024	TS5_prime	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-311G(D,P)	-920.704663752; Eh

Results 1351-1360 of 1450 (Search time: 0.002 seconds).