ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
1442
1443
1444
1445
1446
1447
1448
...
1927
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Jul-2023	2-B10I9Ar_(-)	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2QZVPP	-3456.99914430; Eh
	13-Jul-2023	B10Cl10_(2-)	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2QZVPP	-4851.80116278; Eh
	13-Jul-2023	1-B10Cl9_(-)	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2QZVPP	-4391.39736558; Eh
	13-Jul-2023	B12Cl11_(-)	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2QZVPP	-5361.83320356; Eh
	13-Jul-2023	B6I5N2_(-)	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2QZVPP	-1748.10719560; Eh
	13-Jul-2023	B6Cl5Xe_(-)	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2QZVPP	-2780.15076126; Eh
	13-Jul-2023	B6Br5Ne_(-)	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2QZVPP	-13149.6106699; Eh
	13-Jul-2023	B10I10_(2-)_to_2-B10I9_(-)	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization TS	RB3LYP	DEF2QZVPP	-3227.27168721; Eh
	13-Jul-2023	B6Cl5N2_(-)_B3LYP	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-2560.23528330; Eh
	13-Jul-2023	1-B10Cl9_to_2-B10Cl9_	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	DEF2QZVPP	-4391.39150089; Eh

Results 14441-14450 of 19262 (Search time: 0.011 seconds).