Results 161 to 170 of about 5,414 (187)
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Russian Journal of Inorganic Chemistry, 2019
In this study, natural bond orbital (NBO) and quantum theory of atoms in molecules (QTAIM) analyses have been used to illustrate structure and bonding in iron aminoborirene complex [(η5-C5H5)(OC)2Fe{μ-BN(SiH3)2C=C}Ph] (closed-isomer) and its isomer boryl complex [(η5-C5H5)(OC)2FeBN(SiH3)2C≡CPh] (open-isomer).
Mina Iranpour +3 more
openaire +1 more source
In this study, natural bond orbital (NBO) and quantum theory of atoms in molecules (QTAIM) analyses have been used to illustrate structure and bonding in iron aminoborirene complex [(η5-C5H5)(OC)2Fe{μ-BN(SiH3)2C=C}Ph] (closed-isomer) and its isomer boryl complex [(η5-C5H5)(OC)2FeBN(SiH3)2C≡CPh] (open-isomer).
Mina Iranpour +3 more
openaire +1 more source
ChemInform, 2006
AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Luis, Lorenzo +3 more
openaire +2 more sources
AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Luis, Lorenzo +3 more
openaire +2 more sources
The Journal of Physical Chemistry A, 2014
The molecular mechanism for the NH3 + LiH → LiNH2 + H2 reaction has been elucidated by the combined use of quantum theory of atoms in molecules (QTAIM) and noncovalent interactions (NCI) index. The topology of the electron density, obtained by QTAIM/NCI, is able to identify the evolution of strong and weak interactions, recovering the bonding patterns ...
Juan, Andrés +3 more
openaire +2 more sources
The molecular mechanism for the NH3 + LiH → LiNH2 + H2 reaction has been elucidated by the combined use of quantum theory of atoms in molecules (QTAIM) and noncovalent interactions (NCI) index. The topology of the electron density, obtained by QTAIM/NCI, is able to identify the evolution of strong and weak interactions, recovering the bonding patterns ...
Juan, Andrés +3 more
openaire +2 more sources
Structural Chemistry, 2017
A 31-year-old letter from Professor Richard F. W. Bader to Professor Lou Massa outlining the connections between the quantum theory of atoms in molecules (QTAIM) and density functional theory (DFT) especially with regard to the first Hohenberg-Kohn theorem is brought to light.
openaire +1 more source
A 31-year-old letter from Professor Richard F. W. Bader to Professor Lou Massa outlining the connections between the quantum theory of atoms in molecules (QTAIM) and density functional theory (DFT) especially with regard to the first Hohenberg-Kohn theorem is brought to light.
openaire +1 more source
Quantum simulation of 2D antiferromagnets with hundreds of Rydberg atoms
Nature, 2021Pascal Scholl +2 more
exaly
Quantum-enabled millimetre wave to optical transduction using neutral atoms
Nature, 2023Aishwarya Kumar, Aziza, Mark Stone
exaly
Manipulating quantum entanglement with atoms and photons in a cavity
Reviews of Modern Physics, 2001J-M Raimond, Michel Brune
exaly
Material platforms for spin-based photonic quantum technologies
Nature Reviews Materials, 2018Mete Atature +2 more
exaly
Quantum information with Rydberg atoms
Reviews of Modern Physics, 2010Mark E Saffman, Thad G Walker
exaly