1. Barcelona Supercomputing Center

Search        

Current filters:
Start a new search
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021//gas_molsimps Ru_31a_17//gas_molsimps/Ru_31a_17 OOH//gas_molsimps/Ru_31a_17/OOH LS Ru_31a_17_OOH_LSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1768.8113979; Eh
thumbnail.jpeg25-Feb-2021//gas_molsimps Ru_31a_17//gas_molsimps/Ru_31a_17 OH//gas_molsimps/Ru_31a_17/OH LS Ru_31a_17_OH_LSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1693.6709061; Eh
thumbnail.jpeg25-Feb-2021//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Cr_31a_1_//ht_paper_misc/mult_test_molsimps/Cr_31a_1_ OH//ht_paper_misc/mult_test_molsimps/Cr_31a_1_/OH HS//ht_paper_misc/mult_test_molsimps/Cr_31a_1_/OH/HS forw Cr_31a_1_OH_HS-f_3e-1Craig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1740.53186691; Eh
thumbnail.jpeg25-Feb-2021//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Cr_31a_1_//ht_paper_misc/mult_test_molsimps/Cr_31a_1_ OH//ht_paper_misc/mult_test_molsimps/Cr_31a_1_/OH HS//ht_paper_misc/mult_test_molsimps/Cr_31a_1_/OH/HS back Cr_31a_1_OH_HS-b_3e-1Craig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1740.53189221; Eh
thumbnail.jpeg25-Feb-2021//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Co_oct_desorbed_1_//ht_paper_misc/mult_test_molsimps/Co_oct_desorbed_1_ VAC//ht_paper_misc/mult_test_molsimps/Co_oct_desorbed_1_/VAC LS Co_pbp_1_VAC_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1852.53337537; Eh
thumbnail.jpeg25-Feb-2021//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Co_oct_desorbed_1_//ht_paper_misc/mult_test_molsimps/Co_oct_desorbed_1_ OH//ht_paper_misc/mult_test_molsimps/Co_oct_desorbed_1_/OH LS Co_oct_desorbed_1_OH_LS-fromOOHCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1928.35116206; Eh
thumbnail.jpeg25-Feb-2021//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Co_32a_31//ht_paper_misc/mult_test_molsimps/Co_32a_31 OH//ht_paper_misc/mult_test_molsimps/Co_32a_31/OH LS Co_32a_31_OH_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1490.77015682; Eh
thumbnail.jpeg25-Feb-2021//gas_molsimps Ru_32a_31//gas_molsimps/Ru_32a_31 OH//gas_molsimps/Ru_32a_31/OH LS Ru_32a_31_OH_LSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1439.3746417; Eh
thumbnail.jpeg25-Feb-2021//gas_molsimps Ru_31a_23//gas_molsimps/Ru_31a_23 OH//gas_molsimps/Ru_31a_23/OH LS Ru_31a_23_OH_LSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1503.2910178; Eh
thumbnail.jpeg25-Feb-2021//gas_molsimps Ru_31a_22//gas_molsimps/Ru_31a_22 OOH//gas_molsimps/Ru_31a_22/OOH LS Ru_31a_22_OOH_LSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1732.0959886; Eh
Results 151-160 of 2340 (Search time: 0.002 seconds).

Discover