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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_23//gas_molsimps/Cr_3a1_23 VAC//gas_molsimps/Cr_3a1_23/VAC HS Cr_3a1_23_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 | -1419.9006813; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Cr_3a1_20//gas_molsimps/Cr_3a1_20 OH//gas_molsimps/Cr_3a1_20/OH HS Cr_3a1_20_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 | -1665.4335066; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Cr_32a_35//gas_molsimps/Cr_32a_35 OOH//gas_molsimps/Cr_32a_35/OOH HS Cr_32a_35_OH_HS-fromOHgas | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UTPSSh | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1389.1605495; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Cr_32a_33//gas_molsimps/Cr_32a_33 OOH//gas_molsimps/Cr_32a_33/OOH HS Cr_32a_33_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 | -1638.5068223; 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 Mn_31a_24//gas_molsimps/Mn_31a_24 OOH//gas_molsimps/Mn_31a_24/OOH HS Mn_31a_24_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 | -1434.8112202; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Mn_31a_23//gas_molsimps/Mn_31a_23 OH//gas_molsimps/Mn_31a_23/OH HS Mn_31a_23_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 | -1513.3326908; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Mn_31a_18//gas_molsimps/Mn_31a_18 OOH//gas_molsimps/Mn_31a_18/OOH HS Mn_31a_18_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 | -1625.1880306; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Fe_3a1_29//gas_molsimps/Fe_3a1_29 OOH//gas_molsimps/Fe_3a1_29/OOH HS Fe_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 | -1549.0148742; Eh | |||
 | 25-Feb-2021 | //gas_molsimps Fe_3a1_20//gas_molsimps/Fe_3a1_20 OOH//gas_molsimps/Fe_3a1_20/OOH HS Fe_3a1_20_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 | -1777.6273544; Eh |
Results 351-360 of 2164 (Search time: 0.002 seconds).