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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jun-2025	/DCM/PhMeIm/IrH2MePhImIMesPPh3 IrH2MePhImIMesPPh3_sp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2QZVP	-2563.4108784; Eh
	23-Jun-2025	/DCM/PhNO2 PhNO2	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	6-311G(D,P) GENECP	-436.813121502; Eh
	23-Jun-2025	/DCM/PhNO2 PhNO2_sp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2QZVP	-436.9070444; Eh
	24-Jun-2025	/bis_PH2 bis_PH2_C2_PPrelaxedscan	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Geometry optimization Minimum	UHF; UB3LYP	STO-3G 3-21G 6-31G(D) 6-31+G(D)	-685.016331004; Eh
	24-Jun-2025	/bis_PH2 bis_PH2_C2_PPrigidscan_1	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Single point Structure	UHF; UB3LYP	STO-3G 3-21G 6-31G(D) 6-31+G(D)	-685.0781896; Eh
	24-Jun-2025	/bis_PH2 bis_PH2_C2_PPrigidscan_2	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Single point Structure	UB3LYP	6-31+G(D)	-685.015244733; Eh
	28-Jan-2026	SP_constrD15	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1247.70471265703873; Eh
	28-Jan-2026	SP_constrD14	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1154.48760213405694; Eh
	28-Jan-2026	SP_constrD0	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-949.86584093256181; Eh
	28-Jan-2026	SP_constrD1	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-718.64236897495084; Eh

Results 379631-379640 of 403438 (Search time: 0.202 seconds).