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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 h2_h2o_tpssh//ht_paper_misc/h2_h2o_tpssh H2 tpssh-H2	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RTPSSh	6-31G(D,P) GEN	-1.17503497611; Eh
	25-Feb-2021	//ht_paper_misc h2_h2o_b3lyp//ht_paper_misc/h2_h2o_b3lyp H2O b3lyp-H2O	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) 6-31+G(D) GEN	-76.4471598947; Eh
	25-Feb-2021	//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Mn_31a_29//ht_paper_misc/mult_test_molsimps/Mn_31a_29 VAC//ht_paper_misc/mult_test_molsimps/Mn_31a_29/VAC LS Mn_31a_29_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	-1378.58186847; Eh
	25-Feb-2021	//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Fe_32a_35//ht_paper_misc/mult_test_molsimps/Fe_32a_35 VAC//ht_paper_misc/mult_test_molsimps/Fe_32a_35/VAC HS//ht_paper_misc/mult_test_molsimps/Fe_32a_35/VAC/HS forw Fe_32a_35_VAC_HS-f_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	-1275.34960964; Eh
	25-Feb-2021	//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Mn_31a_29//ht_paper_misc/mult_test_molsimps/Mn_31a_29 OH//ht_paper_misc/mult_test_molsimps/Mn_31a_29/OH HS Mn_31a_29_OH_HSb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1454.45596454; Eh
	25-Feb-2021	//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Fe_32a_35//ht_paper_misc/mult_test_molsimps/Fe_32a_35 VAC//ht_paper_misc/mult_test_molsimps/Fe_32a_35/VAC LS Fe_32a_35_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	-1275.32147555; Eh
	25-Feb-2021	//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Ru_oct_desorbed_1_//ht_paper_misc/mult_test_molsimps/Ru_oct_desorbed_1_ VAC//ht_paper_misc/mult_test_molsimps/Ru_oct_desorbed_1_/VAC HS Ru_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	-1801.31035344; Eh
	25-Feb-2021	//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Ru_oct_desorbed_1_//ht_paper_misc/mult_test_molsimps/Ru_oct_desorbed_1_ OH//ht_paper_misc/mult_test_molsimps/Ru_oct_desorbed_1_/OH LS Ru_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	-1877.19882619; Eh
	25-Feb-2021	//ht_paper_misc h2_h2o_tpssh//ht_paper_misc/h2_h2o_tpssh H2O tpssh-H2O	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RTPSSh	6-31G(D,P) 6-31+G(D) GEN	-76.4395127217; Eh
	25-Feb-2021	//ht_paper_misc h2_h2o_b3lyp//ht_paper_misc/h2_h2o_b3lyp H2 b3lyp-H2	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-1.17586644520; Eh

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