G. Malli

most citedRelativistic and magnetic Breit effects for the isomerization of Sg(CO)6 and Sg(OC)6

1 citations · 1 across the 5 of their papers we have counts for

collaborators

5 papers

physics.chem-ph2021★ 1 cited

Relativistic and magnetic Breit effects for the isomerization of Sg(CO)6 and Sg(OC)6

G. L. Malli, W. Loveland

Abstract Our ab initio all-electron relativistic Dirac-Fock (DF) calculations for seaborgium hexacarbonyl Sg(CO)6 and seaborgium hexaisocarbonyl Sg(OC)6 predict atomization energie…

physics.chem-ph2021

Relativistic effects for the reaction Ubq + 6 CO = Ubq (CO)6 or Ubq (OC)6:Prediction of the existence, atomization energy, and isomerization energy of the isomers Ubq (CO)6 and Ubq (OC)6 of element Ubq ( Z=124, eka-uranium)

G. L. Malli, W. Loveland

Our ab initio all-electron relativistic Dirac*Fock (DF) calculations for the octahedral (Oh) Ubq(CO)6 and Ubq(OC)6 predict atomization energies (Ae) of 50.25 (47.93) and 43.43 (44.…

physics.chem-ph2021

Dirac-Fock-Breit-Gaunt calculations for the reaction Og + 6 CO -> Og(CO)6 or Og(OC)6

Gulzari Malli, Walter Loveland

Our all electron (DFBG) calculations show differences between relativistic and non-relativistic calculations for the structure of the isomers of Og(CO)6

physics.chem-ph2021

Dramatic relativistic and magnetic Breit effects for the superheavy reaction Og + 3Ts $_{2}$ -> OgTs $_{6}$ : Prediction of atomization energy and the existence of the superheavy octahedral Oganesson hexatennesside OgTs $_{6}$

Gulzari Malli, Martin Siegert, Luiz Guilherme M De Macedo +1

Our gargantuan ab initio all-electron fully relativistic Dirac-Fock (DF), nonrelativistic (NR) Hartree-Fock(HF) and Dirac-Fock-Breit-Gaunt(DFBG) molecular SCF calculations for the…

physics.chem-ph2021

Relativistic effects for the superheavy reaction Og + 2Ts $_{2}$ -> Og(Ts) $_{4}$ : Dramatic relativistic effects for the atomization energy of Oganesson tetratennesside Og(Ts) $_{4}$ and the prediction of the existence of tetrahedral Og(Ts) $_{4}$

Gulzari Malli, Martin Siegert, Luiz Guilherme M de Macedo +1

Our all-electron fully relativistic Dirac-Fock (DF) and nonrelativistic (NR) Hartree-Fock (HF) SCF molecular calculations for the superheavy tetrahedral (T $_{d}$ ) oganesson tetratenn…

Relativistic and magnetic Breit effects for the isomerization of Sg(CO)6 and Sg(OC)6

Relativistic effects for the reaction Ubq + 6 CO = Ubq (CO)6 or Ubq (OC)6:Prediction of the existence, atomization energy, and isomerization energy of the isomers Ubq (CO)6 and Ubq (OC)6 of element Ubq ( Z=124, eka-uranium)

Dirac-Fock-Breit-Gaunt calculations for the reaction Og + 6 CO -> Og(CO)6 or Og(OC)6

Dramatic relativistic and magnetic Breit effects for the superheavy reaction Og + 3Ts2​ -> OgTs6​: Prediction of atomization energy and the existence of the superheavy octahedral Oganesson hexatennesside OgTs6​

Relativistic effects for the superheavy reaction Og + 2Ts2​ -> Og(Ts)4​ : Dramatic relativistic effects for the atomization energy of Oganesson tetratennesside Og(Ts)4​ and the prediction of the existence of tetrahedral Og(Ts)4​

Dramatic relativistic and magnetic Breit effects for the superheavy reaction Og + 3Ts $_{2}$ -> OgTs $_{6}$ : Prediction of atomization energy and the existence of the superheavy octahedral Oganesson hexatennesside OgTs $_{6}$

Relativistic effects for the superheavy reaction Og + 2Ts $_{2}$ -> Og(Ts) $_{4}$ : Dramatic relativistic effects for the atomization energy of Oganesson tetratennesside Og(Ts) $_{4}$ and the prediction of the existence of tetrahedral Og(Ts) $_{4}$