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

Search

previous
1
...
1159
1160
1161
1162
1163
1164
1165
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Sep-2025	/HFIP_mechanism ts_HFIP_regeneration	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	DEF2SVP	-1345.01529455; Eh
	25-Sep-2025	/side_reactions ts_rad_HFIP_change	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	DEF2SVP	-788.493143114; Eh
	25-Sep-2025	/side_reactions ts_methane_formation	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	DEF2SVP	-596.263157045; Eh
	25-Sep-2025	/HFIP_mechanism ts_I1a_protonation	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	DEF2SVP	-1008.36221752; Eh
	10-Sep-2025	/System_S_with_the_silyl_group_ Sb	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1984.37036222; Eh
	10-Sep-2025	Li(THF)3TMP	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) GEN	-1113.62017026; Eh
	10-Sep-2025	/System_B_without_the_silyl_group BTS2	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-1887.16408829; Eh
	10-Sep-2025	/System_B_without_the_silyl_group Bd	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1577.22032647; Eh
	10-Sep-2025	/System_B_without_the_silyl_group Be	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1887.18189014; Eh
	10-Sep-2025	/System_B_without_the_silyl_group Bf	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1887.19187548; Eh

Results 11611-11620 of 12842 (Search time: 0.008 seconds).