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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-May-2022	Transition_state_–_TS6	Habets, Thomas	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-311++G(D,P)	-867.234847344; Eh
	20-May-2022	Pre-reactive_complex_–_TS1	Habets, Thomas	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311++G(D,P)	-867.313340290; Eh
	20-May-2022	Post-reactive_complex_–_TS10_(int3)	Habets, Thomas	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311++G(D,P)	-1041.82921096; Eh
	20-May-2022	Post-reactive_complex_–_TS11_(int3)	Habets, Thomas	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311++G(D,P)	-1101.00632817; Eh
	20-May-2022	Pre-reactive_complex_–_TS11_(int2)	Habets, Thomas	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311++G(D,P)	-1100.99854951; Eh
	20-May-2022	Transition_state_–_TS11	Habets, Thomas	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-311++G(D,P)	-1100.92377227; Eh
	20-May-2022	Hydroxyoxazolidone_(2)	Habets, Thomas	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311++G(D,P)	-633.654165315; Eh
	20-May-2022	Imine_(3)	Habets, Thomas	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311++G(D,P)	-445.052256955; Eh
	20-May-2022	Butanol	Habets, Thomas	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311++G(D,P)	-233.665638247; Eh
	20-May-2022	CO2	Habets, Thomas	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311++G(D,P)	-188.581209604; Eh

Results 21-30 of 39 (Search time: 0.002 seconds).