ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
2
3
4
5
6
7
8
...
11
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Jun-2023	/HFIP_FES/1_AuClIPr AuClIPr_sp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RMN15	GENECP	-1754.7965997; Eh
	9-Jun-2023	/HFIP_FES/HFIP hfip3_sp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RMN15	GENECP	-2368.5392134; Eh
	9-Jun-2023	/HFIP_FES/E_AuClIPrHFIP+propyne AuClIPrHFIP+propyne_sp_hfip	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RMN15	GENECP	-2660.8795248; Eh
	9-Jun-2023	/HFIP_FES/F_AuIPrpropyne+ClHFIP AuIPrpropyne+ClHFIP_sp_hfip	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RMN15	GENECP	-2660.8693466; Eh
	9-Jun-2023	/HFIP_FES/G_AuIPrpropyne AuIPrpropyne_sp_hfip	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RMN15	GENECP	-1411.0366815; Eh
	9-Jun-2023	/HFIP_FES/TS3_hfip TS3_sp_hfip	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RMN15	GENECP	-2660.8585556; Eh
	2-Sep-2023	/Me_radical_addn/Benzene+Me-rad_product benzene_Me-rad_product_tzvp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UMN15	DEF2TZVP	-39.7888613; Eh
	2-Sep-2023	/Me_radical_addn/Benzene+Me-rad_TS benzene_Me-rad_TS_tzvp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UMN15	DEF2TZVP	-271.8083226; Eh
	2-Sep-2023	/Me_radical_addn/Benzene benzene_tzvp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RMN15	DEF2TZVP	-232.0336578; Eh
	2-Sep-2023	/Me_radical_addn/Me_radical Me_radical_tzvp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UMN15	DEF2TZVP	-39.7888613; Eh

Results 41-50 of 102 (Search time: 0.002 seconds).