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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jun-2025	/EDA/IrH2PhPyIMesPPh3_eda IrH2PhPyIMesPPh3_sp_nosolv	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2QZVP	-2546.05887; Eh
	23-Jun-2025	/EDA/IrH2IMesPPh3 IrH2IMesPPh3_sp_chloroform	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2QZVP	-2066.6093767; Eh
	23-Jun-2025	/EDA/IrH2IMesPPh3 IrH2IMesPPh3_sp_nosolv	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2QZVP	-2066.5181377; Eh
	23-Jun-2025	/EDA/IrH2PhPyIMesPPh3_eda PhPy_sp_nosolv	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2QZVP	-479.4755775; Eh
	23-Jun-2025	/EDA/IrH2PhAcIMesPPh3_eda PhAc_sp_nosolv	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2QZVP	-385.0118424; Eh
	23-Jun-2025	/CHCl3/ActiveCatalyst/IrH2CHCl3IMesPPh3/IrH2CHCl3IMesPPh3_higher_E IrH2CHCl3IMesPPh3	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	6-311G(D,P) SDD GENECP	-3485.51862329; Eh
	23-Jun-2025	/CHCl3/ActiveCatalyst/IrH2CHCl3IMesPPh3/IrH2CHCl3IMesPPh3_higher_E IrH2CHCl3IMesPPh3_sp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2QZVP	-3485.9964141; Eh
	23-Jun-2025	/CHCl3/ActiveCatalyst/IrH2CHCl3H2IMesPPh3 IrH2CHCl3H2IMesPPh3	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	6-311G(D,P) SDD GENECP	-3486.71066277; Eh
	23-Jun-2025	/CHCl3/PhAc/IrH2CHCl3PhAcIMesPPh3 IrH2CHCl3PhAcIMesPPh3	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	6-311G(D,P) SDD GENECP	-3870.50268504; Eh
	23-Jun-2025	/CHCl3/ActiveCatalyst/IrH2CHCl3H2IMesPPh3 IrH2CHCl3H2IMesPPh3_sp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2QZVP	-3487.1826811; Eh

Results 379611-379620 of 403438 (Search time: 0.219 seconds).