ioChem-BD Browse - Universitat Rovira i Virgili: Search

Search

previous
1
...
230
231
232
233
234
235
236
...
258
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Oct-2025	/S8F/S8F_opt f8_1ts5o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3706.94303476; Eh
	29-Oct-2025	/S8F/S8F_sp f8_1int4s	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3707.4834461; Eh
	29-Oct-2025	/S8F/S8F_sp f8_1ts5s	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3707.4575999; Eh
	29-Oct-2025	/S8F/S8F_sp f8_1ts3s	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3707.4548419; Eh
	29-Oct-2025	/S8F/S8F_sp f8_1ts4s	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3707.4607747; Eh
	29-Oct-2025	/S8F/S8F_opt f8_1int3oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3706.94126175; Eh
	29-Oct-2025	/S8F/S8F_opt f8_1int4o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3706.94702285; Eh
	29-Oct-2025	/S8F/S8F_opt f8_1int3ob	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-819.790792677; Eh
	29-Oct-2025	/S8F/S8F_opt f8_1int1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3706.87155104; Eh
	29-Oct-2025	/S8F/S8F_opt f8_1ts2o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3706.86900773; Eh

Results 2321-2330 of 2578 (Search time: 0.001 seconds).