ioChem-BD Browse - Universitat Rovira i Virgili: Search

Search

previous
1
...
268
269
270
271
272
273
274
...
284
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Apr-2026	(R)-TS1-RB	Arenas Baeza, Carmen MarÃa	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-3268.45305182; Eh
	8-Apr-2026	(R)-TS1-RD	Arenas Baeza, Carmen MarÃa	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-3268.43956196; Eh
	8-Apr-2026	(R)-TS1-RA	Arenas Baeza, Carmen MarÃa	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-3268.45427733; Eh
	8-Apr-2026	(R)-TS1-RC	Arenas Baeza, Carmen MarÃa	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-3268.45570837; Eh
	8-Apr-2026	(R)-TS1-S	Arenas Baeza, Carmen MarÃa	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-3268.46076712; Eh
	8-Apr-2026	(R)-TS1-R	Arenas Baeza, Carmen MarÃa	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-3268.46283818; Eh
	8-Apr-2026	(R)-TS3	Arenas Baeza, Carmen MarÃa	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-3268.50047364; Eh
	8-Apr-2026	(R,R)-2a	Arenas Baeza, Carmen MarÃa	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1490.43187936; Eh
	8-Apr-2026	(R)-TS2	Arenas Baeza, Carmen MarÃa	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-3268.48447389; Eh
	8-Apr-2026	(R)-1a	Arenas Baeza, Carmen MarÃa	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-1067.80733372; Eh

Results 2701-2710 of 2835 (Search time: 0.001 seconds).