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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jun-2021	dph_diyne_75	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RPBEPBE	6-311G(D,P)	-614.968889692; Eh
	5-Aug-2021	dzp_8cum_me	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	6-31G(D,P)	-423.224001865; Eh
	16-Jun-2021	allene_linked9	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	6-311G(D,P)	-350.923801596; Eh
	16-Jun-2021	nte	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	6-311G(D,P)	-425.858897945; Eh
	16-Jun-2021	mol_120	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RPBEPBE	6-311G(D,P)	-309.1633485; Eh
	16-Jun-2021	mol_12	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RPBEPBE	6-311G(D,P)	-309.1875326; Eh
	16-Jun-2021	mol_48	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RPBEPBE	6-311G(D,P)	-309.1723936; Eh
	16-Jun-2021	mol_8	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RPBEPBE	6-311G(D,P)	-309.1880945; Eh
	16-Jun-2021	mol_0	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RPBEPBE	6-311G(D,P)	-309.1885437; Eh
	6-Aug-2021	metallacumulene_revtpss	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RrevTPSSrevTPSS	CC-PVTZ SDD GEN	-2199.05968443; Eh

Results 11-20 of 195 (Search time: 0.001 seconds).