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Collection Name
ZnMn2026

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Apr-2026	/optimization_TS tsopt_I4na_I5	Narayanan S J, Jishnu; Major, Dan Thomas	Orca; 6.0.1; RELEASE	Geometry optimization TS	DFT	def2-SVP; def2/J	-780.76864323146629; Eh
	9-Apr-2026	/optimization_minima I3_freq	Narayanan S J, Jishnu; Major, Dan Thomas	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-SVP; def2/J	-780.77726239256958; Eh
	9-Apr-2026	/optimization_minima I5_freq	Narayanan S J, Jishnu; Major, Dan Thomas	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-SVP; def2/J	-780.77715155750570; Eh
	9-Apr-2026	/optimization_minima I1_freq	Narayanan S J, Jishnu; Major, Dan Thomas	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-SVP; def2/J	-780.73981931073297; Eh
	9-Apr-2026	/optimization_minima I4_freq	Narayanan S J, Jishnu; Major, Dan Thomas	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-SVP; def2/J	-780.78042129034134; Eh
	9-Apr-2026	/optimization_TS tsopt_I4_I4na	Narayanan S J, Jishnu; Major, Dan Thomas	Orca; 6.0.1; RELEASE	Geometry optimization TS	DFT	def2-SVP; def2/J	-780.76664372839900; Eh
	9-Apr-2026	/optimization_minima I2na_freq	Narayanan S J, Jishnu; Major, Dan Thomas	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-SVP; def2/J	-780.77648357566738; Eh
	9-Apr-2026	/optimization_TS tsopt_I2_to_I2na	Narayanan S J, Jishnu; Major, Dan Thomas	Orca; 6.0.1; RELEASE	Geometry optimization TS	DFT	def2-SVP; def2/J	-780.77084746895923; Eh
	9-Apr-2026	/optimization_TS tsopt_I1_to_I2	Narayanan S J, Jishnu; Major, Dan Thomas	Orca; 6.0.1; RELEASE	Geometry optimization TS	DFT	def2-SVP; def2/J	-780.73891493809413; Eh

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