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Searched refs:electron_affinity (Results 1 – 9 of 9) sorted by relevance

/dports/science/qmcpack/qmcpack-3.11.0/nexus/lib/
H A Dperiodic_table.py48 self.electron_affinity = None
155 self.electron_affinity = phys_value_dict(se.electron_affinity, eau)
981 e[7].electron_affinity = -7
999 e[25].electron_affinity = 0
1004 e[30].electron_affinity = 9
1040 e[66].electron_affinity = 0
1046 e[72].electron_affinity = 0
1067 e[93].electron_affinity = 0
1068 e[94].electron_affinity = 0
1069 e[95].electron_affinity = 0
[all …]
/dports/science/rdkit/rdkit-Release_2021_03_5/Data/
H A Drddata.sql37 electron_affinity double precision, field
98 …mic_rad, a_r_electroneg, pauling_electroneg, atomic_mass, first_ip, electron_affinity, pearson_ele…
311 electron_affinity Electron Affinity eV CRC
312 pearson_electroneg Pearsons electronegativity eV Calculated from first_IP and electron_affinity
313 pearson_hardness Pearsons hardness eV Calculated from first_IP and electron_affinity
/dports/science/rdkit/rdkit-Release_2021_03_5/rdkit/Dbase/test_data/
H A DRDData.psql65 electron_affinity double precision,
132 …mic_rad, a_r_electroneg, pauling_electroneg, atomic_mass, first_ip, electron_affinity, pearson_ele…
527 electron_affinity Electron Affinity eV CRC
528 pearson_electroneg Pearsons electronegativity eV Calculated from first_IP and electron_affinity
529 pearson_hardness Pearsons hardness eV Calculated from first_IP and electron_affinity
553 electron_affinity Electron Affinity eV CRC
554 pearson_electroneg Pearsons electronegativity eV Calculated from first_IP and electron_affinity
555 pearson_hardness Pearsons hardness eV Calculated from first_IP and electron_affinity
H A DRDData.sqlite25 electron_affinity double precision,
443 INSERT INTO "source_notes" VALUES('electron_affinity','Electron Affinity','eV','CRC');
444 …on_electroneg','Pearsons electronegativity','eV','Calculated from first_IP and electron_affinity');
445 …LUES('pearson_hardness','Pearsons hardness','eV','Calculated from first_IP and electron_affinity');
469 INSERT INTO "source_notes" VALUES('electron_affinity','Electron Affinity','eV','CRC');
470 …on_electroneg','Pearsons electronegativity','eV','Calculated from first_IP and electron_affinity');
471 …LUES('pearson_hardness','Pearsons hardness','eV','Calculated from first_IP and electron_affinity');
/dports/science/qmcpack/qmcpack-3.11.0/nexus/tests/unit/
H A Dtest_periodic_table.py62 assert(value_eq(C.electron_affinity.kJ_mol,121.9))
/dports/science/openbabel/openbabel-3.1.1/src/
H A Delements.cpp70 double electron_affinity[NUMELEMENTS + 1] = { variable
135 return electron_affinity[atomic_number]; in GetElectronAffinity()
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/core/tests/
H A Dtest_periodic_table.py240 self.assertAlmostEqual(Element.Br.electron_affinity, 3.3635883)
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/core/
H A Dperiodic_table.py320 def electron_affinity(self) -> float: member in ElementBase
/dports/science/py-pymatgen/pymatgen-2022.0.15/
H A DCHANGES.rst134 `electron_affinity` properties.