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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Nov-2019	3_layer_IP_input_and_outputs	Mukherjee, Madhubani	Orca; 4.0; CURRENT	Single point	RHF; HFFRAGMENTINTERACTION	-	-18158.43963682; Eh
	17-Mar-2021	/GeomOpt_wB97XD M77	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-2002.8302739; Eh
	17-Mar-2021	/GeomOpt_wB97XD M84	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-2059.3941219; Eh
	17-Mar-2021	/GeomOpt_wB97XD M85	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-1811.1511517; Eh
	17-Mar-2021	/GeomOpt_wB97XD M88	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-1922.2078013; Eh
	17-Mar-2021	/GeomOpt_wB97XD M90	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-1673.9787324; Eh
	14-Nov-2019	3_layer_IP	Mukherjee, Madhubani	Orca; 4.0; CURRENT	Single point	RHF; HFFRAGMENTINTERACTION	-	-18158.43963682; Eh
	14-Nov-2019	IP_files	Mukherjee, Madhubani	Orca; 4.0; CURRENT	Single point	RHF; HFFRAGMENTINTERACTION	-	-18158.43963682; Eh
	17-Mar-2021	/GeomOpt_wB97XD M86	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-1811.1231596; Eh
	17-Mar-2021	/GeomOpt_wB97XD M89	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-1673.9949213; Eh

Results 11-20 of 316 (Search time: 0.001 seconds).