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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Feb-2021 | //gas_molsimps Ni_31a_2_//gas_molsimps/Ni_31a_2_ VAC//gas_molsimps/Ni_31a_2_/VAC HS Ni_31a_2_VAC_HSgas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1731.4068785; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Mn_oct_desorbed_3_//gas_molsimps/Mn_oct_desorbed_3_ OOH//gas_molsimps/Mn_oct_desorbed_3_/OOH HS Mn_oct_desorbed_3_OOH_HSgas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1792.6429198; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Mn_32a_35//gas_molsimps/Mn_32a_35 VAC//gas_molsimps/Mn_32a_35/VAC HS Mn_32a_35_VAC_HSgas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1255.7643777; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Mn_31a_5_//gas_molsimps/Mn_31a_5_ OH//gas_molsimps/Mn_31a_5_/OH HS Mn_31a_5_OH_HSgas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1572.212582; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Mn_31a_25//gas_molsimps/Mn_31a_25 OOH//gas_molsimps/Mn_31a_25/OOH HS Mn_31a_25_OOH_HSgas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1715.1872224; Eh | |||
 | 25-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 VAC//ht_paper_misc/mult_test_molsimps/Co_32a_31/VAC LS Co_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 | -1414.95111153; Eh | |||
 | 25-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_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 | -1490.77015682; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ru_31a_23//gas_molsimps/Ru_31a_23 OH//gas_molsimps/Ru_31a_23/OH LS Ru_31a_23_OH_LSgas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1503.2910178; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ru_31a_19//gas_molsimps/Ru_31a_19 OH//gas_molsimps/Ru_31a_19/OH LS Ru_31a_19_OH_LSgas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1688.9652801; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Ru_31a_16//gas_molsimps/Ru_31a_16 OOH//gas_molsimps/Ru_31a_16/OOH LS Ru_31a_16_OOH_LSgas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1922.4714105; Eh |
Results 221-230 of 2164 (Search time: 0.001 seconds).