ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Sep-2023	/Me_radical_addn/Benzene+Me-rad_product benzene_Me-rad_product	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UMN15L	DEF2SVP	-271.598100734; Eh
	2-Sep-2023	/Me_radical_addn/Me_radical Me_radical	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UMN15L	DEF2SVP	-39.7493930418; Eh
	2-Sep-2023	/Me_radical_addn/Benzene benzene	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15L	DEF2SVP	-231.828039430; Eh
	2-Sep-2023	/Me_radical_addn/mXylene+Me-rad_product_2pos mXylene+Me-rad_product_2pos	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UMN15L	DEF2SVP	-350.083739877; Eh
	2-Sep-2023	/Me_radical_addn/mXylene mXylene	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15L	DEF2SVP	-310.307598694; Eh
	2-Sep-2023	/Me_radical_addn/mXylene+Me-rad_product_5pos mXylene+Me-rad_product_5pos	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UMN15L	DEF2SVP	-350.078478673; Eh
	2-Sep-2023	/Me_radical_addn/mXylene+Me-rad_product_4pos mXylene+Me-rad_product_4pos	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UMN15L	DEF2SVP	-350.081956305; Eh
	2-Sep-2023	/Me_radical_addn/2iodomxylene_Iabs_prod 2iodomxylene_Iabs_prod	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UMN15L	DEF2SVP	-646.163594388; Eh
	2-Sep-2023	/P_radicals/PPh3/PPh3 PPh3	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15L	DEF2SVP	-1034.90019720; Eh
	2-Sep-2023	/Me_radical_addn/2iodomxylene+Me_rad_prod_5pos 2iodomxylene+Me_rad_prod_5pos	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UMN15L	DEF2SVP	-646.193240369; Eh

Results 1-10 of 29 (Search time: 0.001 seconds).