ioChem-BD Browse - University of Copenhagen: Search

Search

previous
1
2
3
4
...
20
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jun-2021	dph_diyne_0	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	6-31G(D,P)	-614.843277156; Eh
	16-Jun-2021	dph_diyne_30	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RPBEPBE	6-311G(D,P)	-614.969280129; Eh
	16-Jun-2021	allene_linked7	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	6-311G(D,P)	-272.374654367; Eh
	16-Jun-2021	cyclopentadiene	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	6-311G(D,P)	-193.886599880; Eh
	16-Jun-2021	mol_176	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RPBEPBE	6-311G(D,P)	-309.1884387; Eh
	16-Jun-2021	mol_156	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RPBEPBE	6-311G(D,P)	-309.1845042; Eh
	16-Jun-2021	mol_132	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RPBEPBE	6-311G(D,P)	-309.1723956; Eh
	16-Jun-2021	mol_36	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RPBEPBE	6-311G(D,P)	-309.1794488; Eh
	16-Jun-2021	mol_84	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RPBEPBE	6-311G(D,P)	-309.1393947; Eh
	28-Feb-2021	dimethyl-3cumulene	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RPBEPBE	6-311G(D,P)	-

Results 1-10 of 195 (Search time: 0.002 seconds).