ioChem-BD Browse - Universitat Rovira i Virgili: Search

Search

previous
1
...
177
178
179
180
181
182
183
...
258
next

Collection hits:

Collection Name
Zr_Cluster_Catalyzed_Intramolecular_Dipeptide_Cyclization

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Aug-2025	/Mechanism_A fig1_int_VIII_BF3	Nuñez Rapan, Gonzalo Dario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311G++(D,P) GENECP	-1892.59297813; Eh
	27-Aug-2025	/Mechanism_A fig1_ts_VI-VII	Nuñez Rapan, Gonzalo Dario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-311G++(D,P) GENECP	-2772.33348604; Eh
	12-Sep-2025	TS_EF	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4651.54090871; Eh
	12-Sep-2025	TS_DE	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4651.51750752; Eh
	12-Sep-2025	TS_GH	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4651.53681149; Eh
	12-Sep-2025	G	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4651.53745364; Eh
	12-Sep-2025	D	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4651.52684399; Eh
	12-Sep-2025	TS_HI	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4575.08590507; Eh
	12-Sep-2025	C	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4651.52996403; Eh

Results 1791-1800 of 2579 (Search time: 0.001 seconds).