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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 Cr_3a1_4_//gas_molsimps/Cr_3a1_4_ OH//gas_molsimps/Cr_3a1_4_/OH HS Cr_3a1_4_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 | -1708.3126437; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Cr_3a1_29//gas_molsimps/Cr_3a1_29 OOH//gas_molsimps/Cr_3a1_29/OOH HS Cr_3a1_29_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 | -1511.9558302; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Cr_3a1_29//gas_molsimps/Cr_3a1_29 OH//gas_molsimps/Cr_3a1_29/OH HS Cr_3a1_29_OH_HSbgas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1436.8212358; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Cr_3a1_26//gas_molsimps/Cr_3a1_26 VAC//gas_molsimps/Cr_3a1_26/VAC HS Cr_3a1_26_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 | -1530.5988479; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Cr_32a_32//gas_molsimps/Cr_32a_32 OOH//gas_molsimps/Cr_32a_32/OOH HS Cr_32a_32_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 | -1525.1288252; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Cr_32a_31//gas_molsimps/Cr_32a_31 OOH//gas_molsimps/Cr_32a_31/OOH HS Cr_32a_31_OOH_HSbgas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1506.9686692; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Cr_32a_31//gas_molsimps/Cr_32a_31 OH//gas_molsimps/Cr_32a_31/OH HS Cr_32a_31_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 | -1431.8439541; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Cr_31a_8_//gas_molsimps/Cr_31a_8_ OH//gas_molsimps/Cr_31a_8_/OH HS Cr_31a_8_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 | -1742.4343736; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Cr_31a_4_//gas_molsimps/Cr_31a_4_ OOH//gas_molsimps/Cr_31a_4_/OOH HS Cr_31a_4_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 | -1783.4382749; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Cr_31a_28//gas_molsimps/Cr_31a_28 OOH//gas_molsimps/Cr_31a_28/OOH HS Cr_31a_28_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 | -1665.6144182; Eh |
Results 451-460 of 552 (Search time: 0.002 seconds).