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Browsing by Author Jamieson, Cooper

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Showing results 1 to 11 of 11

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Oct-2020	compound-1	Jamieson, Cooper	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D)	-1479.44556550; Eh
	22-Oct-2020	compound-1-prime	Jamieson, Cooper	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D)	-1479.44113447; Eh
	22-Oct-2020	compound-4	Jamieson, Cooper	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D)	-1479.44907551; Eh
	22-Oct-2020	compound-4-prime	Jamieson, Cooper	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D)	-1479.44324062; Eh
	22-Oct-2020	compound-R-1	Jamieson, Cooper	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D)	-1479.40167138; Eh
	22-Oct-2020	compound-R-1-prime	Jamieson, Cooper	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D)	-1479.39482464; Eh
	22-Oct-2020	R-1-prime-serine	Jamieson, Cooper	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D)	-1595.09346800; Eh
	22-Oct-2020	TS-1	Jamieson, Cooper	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D)	-1479.36208495; Eh
	22-Oct-2020	TS-1-prime	Jamieson, Cooper	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D)	-1479.35671650; Eh
	22-Oct-2020	TS-2	Jamieson, Cooper	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D)	-1479.36500391; Eh
	22-Oct-2020	TS-2-prime	Jamieson, Cooper	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D)	-1479.35671650; Eh

Showing results 1 to 11 of 11