Results 21 to 30 of about 787,470 (297)
Nuclear Polarization of Molecular Hydrogen Recombined on a Non-metallic Surface [PDF]
The nuclear polarization of $\mathrm{H}_2$ molecules formed by recombination of nuclear polarized H atoms on the surface of a storage cell initially coated with a silicon-based polymer has been measured by using the longitudinal double-spin asymmetry in ...
Airapetian, A. +182 more
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In the title complex, [SmZn(C19H20N2O4)(NO3)3(CH3OH)2]·2CH3OH, the ZnII ion is six-coordinated by two O atoms and two N atoms of the deprotonated Schiff base ligand and by two O atoms from methanol molecules, forming a slightly distorted ...
Fei Liu, Fang Zhang
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Spin entanglement in atoms and molecules
We investigate the effects of inhomogeneities on spin entanglement in many-electron systems from an ab-initio approach. The key quantity in our approach is the local spin entanglement length, which is derived from the local concurrence of the electronic ...
Pittalis, S. +3 more
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Redetermination of (E)-N,N′-bis(4-bromophenyl)formamidine
In comprison with the previous structural study [Anulewicz et al. (1991). Pol. J. Chem. 65, 465–471], for which only the coordinates of all non-H atoms and of some H atoms were reported, the current redetermination of the title compound ...
L.-J. Han
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The computational modeling supported with experimental results can explain the overall structural packing by predicting the hydrogen bond interactions present in any cocrystals (active pharmaceutical ingredients + coformer) as well as salts.
Priya Verma +4 more
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Building one molecule from a reservoir of two atoms [PDF]
Chemical reactions typically proceed via stochastic encounters between reactants. Going beyond this paradigm, we combine exactly two atoms into a single, controlled reaction.
Hood, J. D. +6 more
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Tetrel Interactions from an Interacting Quantum Atoms Perspective
Tetrel bonds, the purportedly non-covalent interaction between a molecule that contains an atom of group 14 and an anion or (more generally) an atom or molecule with lone electron pairs, are under intense scrutiny. In this work, we perform an interacting
José Luis Casals-Sainz +3 more
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Compactness Aromaticity of Atoms in Molecules [PDF]
A new aromaticity definition is advanced as the compactness formulation through the ratio between atoms-in-molecule and orbital molecular facets of the same chemical reactivity property around the pre- and post-bonding stabilization limit, respectively.
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The precipitation of energetic neutral atoms, produced through charge exchange collisions between solar wind ions and thermal atmospheric gases, is investigated for the Martian atmosphere.
Kharchenko, Vasili, Lewkow, Nicholas
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Entanglement Computation in Atoms and Molecules
In this paper, a method for computing entanglement of electrons in atoms and molecules is described. The importance of entanglement computation for Quantum Computers and for Biology is highlighted and the existing models’ pros and cons are illustrated.
S. Siccardi, R. Pizzi, G. Benenti
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