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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Jun-2021	/Fragments 109_fragment	Haack, Alexander	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; RCCSD	6-311++G(D,P)	-373.2616928; Eh
	14-Jun-2021	/Fragments 119_fragment	Haack, Alexander	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; RCCSD	6-311++G(D,P)	-410.0518208; Eh
	14-Jun-2021	/Fragments HNCNH	Haack, Alexander	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; RCCSD	6-311++G(D,P)	-148.4530193; Eh
	14-Jun-2021	/Parent A1_solv	Haack, Alexander	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; RCCSD	6-311++G(D,P)	-695.6443418; Eh
	14-Jun-2021	/Parent A2_solv	Haack, Alexander	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; RCCSD	6-311++G(D,P)	-695.640975; Eh
	14-Jun-2021	/Parent A4_gas	Haack, Alexander	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; RCCSD	6-311++G(D,P)	-466.6223714; Eh
	14-Jun-2021	/Parent A3_gas	Haack, Alexander	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; RCCSD	6-311++G(D,P)	-466.6336083; Eh
	14-Jun-2021	/Reaction_Intermediates_Transition_States A4_to_94_Int	Haack, Alexander	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; RCCSD	6-311++G(D,P)	-466.5825544; Eh
	14-Jun-2021	/Parent A1_gas	Haack, Alexander	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; RCCSD	6-311++G(D,P)	-466.6367864; Eh
	14-Jun-2021	/Parent A2_gas	Haack, Alexander	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; RCCSD	6-311++G(D,P)	-466.635344; Eh

Results 1-10 of 121 (Search time: 0.001 seconds).