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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/PhPy/IrH2PhPyIMesPPh3_rotTS IrH2PhPyIMesPPh3_rotTS_sp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2QZVP	-2546.1390857; Eh
	23-Jun-2025	/DCM/PhPy/IrH2PhPyIMesPPh3 IrH2PhPyIMesPPh3	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	6-311G(D,P) SDD GENECP	-2545.64342768; Eh
	23-Jun-2025	/DCM/PhPy/IrH2PhPyIMesPPh3_CHTS IrH2PhPyIMesPPh3_CHTS_sp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2QZVP	-2546.1128661; Eh
	23-Jun-2025	/DCM/PhPy/IrH2PhPy2IMesPPh3 IrH2PhPy2IMesPPh3_sp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2QZVP	-3025.6426079; Eh
	23-Jun-2025	/DCM/PhPy/IrHH2PhPyIMesPPh3 IrHH2PhPyIMesPPh3_sp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2QZVP	-2546.138818; Eh
	23-Jun-2025	/DCM/PhPy/IrH2PhPyIMesPPh3 IrH2PhPyIMesPPh3_sp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2QZVP	-2546.1494208; Eh
	23-Jun-2025	/DCM/PhCO2Me/IrH2PhCO2MeIMesPPh3_rotTS IrH2PhCO2MeIMesPPh3_rotTS	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM06L	6-311G(D,P) SDD GENECP	-2526.40437394; Eh
	23-Jun-2025	/DCM/PhCO2Me/IrH2k2PhCO2MeIMesPPh3 IrH2k2PhCO2MeIMesPPh3	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	6-311G(D,P) SDD GENECP	-2526.40941571; Eh
	23-Jun-2025	/DCM/PhCO2Me/IrH2PhCO2MeIMesPPh3_CHTS IrH2PhCO2MeIMesPPh3_CHTS	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM06L	6-311G(D,P) SDD GENECP	-2526.38445985; Eh
	23-Jun-2025	/DCM/PhCO2Me/IrHH2PhCO2MeIMesPPh3 IrHH2PhCO2MeIMesPPh3	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	6-311G(D,P) SDD GENECP	-2526.41204623; Eh

Results 381641-381650 of 402241 (Search time: 0.227 seconds).