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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Feb-2021	//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Ru_3a1_1_//ht_paper_misc/mult_test_molsimps/Ru_3a1_1_ OH//ht_paper_misc/mult_test_molsimps/Ru_3a1_1_/OH HS Ru_3a1_1_OH_HS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1747.90170213; Eh
	25-Feb-2021	//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Ru_32a_31//ht_paper_misc/mult_test_molsimps/Ru_32a_31 OH//ht_paper_misc/mult_test_molsimps/Ru_32a_31/OH LS Ru_32a_31_OH_LS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1439.61041481; Eh
	25-Feb-2021	//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Ni_oct_desorbed_1_//ht_paper_misc/mult_test_molsimps/Ni_oct_desorbed_1_ OH//ht_paper_misc/mult_test_molsimps/Ni_oct_desorbed_1_/OH LS Ni_oct_desorbed_1_OH_LS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1952.53837913; Eh
	25-Feb-2021	//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Ni_32a_31//ht_paper_misc/mult_test_molsimps/Ni_32a_31 VAC//ht_paper_misc/mult_test_molsimps/Ni_32a_31/VAC LS Ni_32a_31_VAC_LS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1439.14329443; Eh
	25-Feb-2021	//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Ni_32a_31//ht_paper_misc/mult_test_molsimps/Ni_32a_31 VAC//ht_paper_misc/mult_test_molsimps/Ni_32a_31/VAC HS Ni_32a_31_VAC_HS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1439.16028802; Eh
	25-Feb-2021	//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Ni_32a_31//ht_paper_misc/mult_test_molsimps/Ni_32a_31 OH//ht_paper_misc/mult_test_molsimps/Ni_32a_31/OH LS Ni_32a_31_OH_LS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1514.94702148; Eh
	25-Feb-2021	//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Mn_oct_desorbed_1_//ht_paper_misc/mult_test_molsimps/Mn_oct_desorbed_1_ OH//ht_paper_misc/mult_test_molsimps/Mn_oct_desorbed_1_/OH LS Mn_oct_desorbed_1_OH_LS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1887.23560130; Eh
	25-Feb-2021	//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Mn_oct_desorbed_1_//ht_paper_misc/mult_test_molsimps/Mn_oct_desorbed_1_ OH//ht_paper_misc/mult_test_molsimps/Mn_oct_desorbed_1_/OH HS Mn_oct_desorbed_1_OH_HS-b_3e-1	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1887.25320771; Eh
	25-Feb-2021	//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Cr_oct_desorbed_1_//ht_paper_misc/mult_test_molsimps/Cr_oct_desorbed_1_ HS Cr_pbp_1_VAC_HS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1793.81762339; Eh
	25-Feb-2021	//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Ru_3a1_1_//ht_paper_misc/mult_test_molsimps/Ru_3a1_1_ OH//ht_paper_misc/mult_test_molsimps/Ru_3a1_1_/OH LS Ru_3a1_1_OH_LS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1748.06975514; Eh

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