ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Nov-2025	S8b	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	DEF2TZVPP DEF2SVP GENECP	-4126.43655560; Eh
	1-Aug-2026	/9-halophenanthrenes/NHC III''	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	nosymm	DEF2TZVP	-3631.71793078; Eh
	1-Aug-2026	/9-halophenanthrenes/NHC II''	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	nosymm	DEF2TZVP	-3631.67695737; Eh
	1-Aug-2026	/9-halophenanthrenes/NHC IV''	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	nosymm	DEF2TZVP	-3631.76386983; Eh
	1-Aug-2026	/9-halophenanthrenes/NHC I''	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	nosymm	DEF2TZVP	-3631.67695737; Eh
	1-Aug-2026	/9-halophenanthrenes/NHC V''	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	nosymm	DEF2TZVP	-3631.66077394; Eh
	1-Aug-2026	/9-halophenanthrenes/NHC TS(III''-IV'')	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	-	DEF2TZVP	-3631.71133032; Eh
	1-Aug-2026	/9-halophenanthrenes/NHC TS(II''-III'')	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	-	DEF2TZVP	-3631.65673413; Eh
	1-Aug-2026	/9-halophenanthrenes/NHC TS(I''-II'')	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	-	DEF2TZVP	-3631.65221911; Eh
	1-Aug-2026	/9-halophenanthrenes/Cl TS(I-V)	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	-	DEF2TZVP	-3787.29145064; Eh

Results 104091-104100 of 104124 (Search time: 0.06 seconds).