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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-Aug-2021	pbe0_8cum_me	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	6-311G(D,P)	-423.321370526; Eh
	16-Jun-2021	dph_diyne_15	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RPBEPBE	6-311G(D,P)	-614.9693823; Eh
	5-Aug-2021	8cum_me	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	6-311G(D,P)	-423.316672783; Eh
	5-Aug-2021	hf_8cum_me	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RHF	6-311G(D,P)	-421.024409008; Eh
	6-Aug-2021	metallacumulene_dsd	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RDSDPBEP86-FC	CC-PVDZ SDD GEN	-2196.0194824; Eh
	16-Jun-2021	mol_144	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RPBEPBE	6-311G(D,P)	-309.179453; Eh
	16-Jun-2021	mol_60	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RPBEPBE	6-311G(D,P)	-309.1633488; Eh
	16-Jun-2021	dph_diyne_89_5	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RPBEPBE	6-311G(D,P)	-614.968850905; Eh
	16-Jun-2021	dph_diyne_60	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RPBEPBE	6-311G(D,P)	-614.968995723; Eh
	16-Jun-2021	allene_linked6	Bro-Jørgensen, William	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	6-311G(D,P)	-233.090165977; Eh

Results 31-40 of 195 (Search time: 0.0 seconds).