Permanent electrostatic moments through the lens of atoms: assessing variational Hirshfeld methods. [PDF]
RSC Advvan Zyl M +3 more
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Microwave Detection of a Metal Peroxide and Two New Metal Dicarbides: The Precise Semiexperimental Equilibrium Structures of CaO<sub>2</sub>, SrC<sub>2</sub>, and YbC<sub>2</sub>. [PDF]
J Phys Chem AChangala PB +3 more
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Sum rules for X-ray circular and linear dichroism based on complete magnetic multipole basis. [PDF]
Sci Technol Adv MaterYamasaki Y, Ishii Y, Sasabe N.
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Rotational Detection of the Missing Conformers of 2-Chloropropionic Acid. [PDF]
J Phys Chem ASun F +8 more
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Origin-Dependence of Dipole Moments of Charged Proteins: Theoretical Foundations and Implications, Revisited. [PDF]
J Comput ChemMatar IK, Matta CF.
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Fine-structure constant sensitivity of the Th-229 nuclear clock transition. [PDF]
Nat CommunBeeks K +14 more
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Stepwise Hydration Reveals Conformational Switching in Chiral Prolinol. [PDF]
J Am Chem SocLoru D +9 more
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Aromaticity of Substituted Benzene Derivatives Employing a New Set of Aromaticity Descriptors Based on the Partition of Electron Density. [PDF]
J Comput ChemMáximo-Canadas M, Rosa NMP, Borges I.
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Canted antiferromagnetism in a spin-orbit coupled S<sub>eff</sub> = 3/2 triangular-lattice magnet DyAuGe. [PDF]
Nat CommunKurumaji T +7 more
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How well do various QM-derived net atomic charges reproduce the electrostatic potential surrounding a material across multiple geometric conformations? [PDF]
RSC AdvEscobosa AC, Manz TA.
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