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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-May-2022	Pre-reactive_complex_–_TS10_(int2’)	Habets, Thomas	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311++G(D,P)	-1041.81127498; Eh
	20-May-2022	Post-reactive_complex_–_TS9_(int2’)	Habets, Thomas	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311++G(D,P)	-1041.80425467; Eh
	20-May-2022	Pre-reactive_complex_–_TS9_(int2)	Habets, Thomas	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311++G(D,P)	-1041.81598258; Eh
	20-May-2022	Post-reactive_complex_–_TS8_(3)	Habets, Thomas	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311++G(D,P)	-867.307582528; Eh
	20-May-2022	Transition_state_–_TS10	Habets, Thomas	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-311++G(D,P)	-1041.77693742; Eh
	20-May-2022	Transition_state_–_TS9	Habets, Thomas	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-311++G(D,P)	-1041.77449978; Eh
	20-May-2022	Post-reactive_complex_–_TS1_(int1)	Habets, Thomas	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311++G(D,P)	-867.321491412; Eh
	20-May-2022	Pre-reactive_complex_–_TS2_(int1)	Habets, Thomas	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311++G(D,P)	-867.319488050; Eh
	20-May-2022	Post-reactive_complex_–_TS2_(2)	Habets, Thomas	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311++G(D,P)	-867.345097824; Eh
	20-May-2022	Pre-reactive_complex_–_TS3	Habets, Thomas	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311++G(D,P)	-867.308117418; Eh

Results 1-10 of 39 (Search time: 0.001 seconds).