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

Search

previous
1
...
710
711
712
713
714
715
716
...
10353
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Apr-2026	34-IPr-TS_1-2	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	B3LYP	SDD 6-31G(D,P) GEN	-11927.4447790; Eh
	23-Apr-2026	37-IPr-TS_3-4	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	B3LYP	SDD 6-31G(D,P) GEN	-13087.6925562; Eh
	23-Apr-2026	38-IPr-I4	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	B3LYP	SDD 6-31G(D,P) GEN	-13087.6911111; Eh
	23-Apr-2026	33-IPr-I1	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	B3LYP	SDD 6-31G(D,P) GEN	-11927.4516703; Eh
	23-Apr-2026	36-IPr-I3	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	B3LYP	SDD 6-31G(D,P) GEN	-13087.6895182; Eh
	23-Apr-2026	35-IPr-I2	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	B3LYP	SDD 6-31G(D,P) GEN	-11927.4869510; Eh
	23-Apr-2026	32-IPr	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P) GEN	-1160.17522623; Eh
	23-Apr-2026	40-IPr-I5	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	B3LYP	SDD 6-31G(D,P) GEN	-13087.7131679; Eh
	23-Apr-2026	50-TpMsCu-NCMe	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	B3LYP	SDD 6-31G(D,P) GEN	-2079.79209932; Eh
	23-Apr-2026	47-TpBrCF32	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	B3LYP	6-31G(D,P) GEN	-10437.1388207; Eh

Results 7121-7130 of 103529 (Search time: 0.006 seconds).