ioChem-BD Browse - Barcelona Supercomputing Center: Search

Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
16-May-2023	IM8_1_2	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	DEF2SVPP	-3983.87620942; Eh
16-May-2023	IM7_1_1	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	DEF2SVPP	-3983.86165778; Eh
16-May-2023	IM8_1_1	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	DEF2SVPP	-3983.88140049; Eh
16-May-2023	IM3	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	DEF2SVPP	-3737.57588150; Eh
16-May-2023	IM6	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	DEF2SVPP	-3228.77516039; Eh
16-May-2023	IM5	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	DEF2SVPP	-3228.73197420; Eh
16-May-2023	P_1_1	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	DEF2SVPP	-1269.02833829; Eh
16-May-2023	IM4	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	DEF2SVPP	-1022.72367884; Eh
16-May-2023	TS5_1_2	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	DEF2SVPP	-3983.85551040; Eh
16-May-2023	TS6_1_2	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	DEF2SVPP	-3983.87491793; Eh

Results 11-20 of 27 (Search time: 0.001 seconds).