Results 221 to 230 of about 10,051 (282)
, 2017 Abstract Double ionisation of most of the experimentally accessible diatomic molecules has been studied previously by several techniques, including Auger spectroscopy, double electron transfer, kinetic energy release, and high-level theory. New double photoionisation spectra of HBr, HI, N2, CO, NO, O2, Br2, ICl, and I2 are presented here
John H. D. Eland, Raimund Feifel
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2021
This chapter deals with covalent bonding, looking especially at the bonding in diatomic molecules that contain only two atoms. It considers three different approaches to bonding. The types of bonding can be thought of as a spectrum, with covalent bonding at one extreme and ionic bonding at the other.
Ram Yatan Prasad, null Pranita
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This chapter deals with covalent bonding, looking especially at the bonding in diatomic molecules that contain only two atoms. It considers three different approaches to bonding. The types of bonding can be thought of as a spectrum, with covalent bonding at one extreme and ionic bonding at the other.
Ram Yatan Prasad, null Pranita
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1994
This chapter talks about orbital approximation, which carries over directly to molecules and is useful in understanding the electronic structure of atoms. It points out that the wave function for a molecule is expressed approximately as a product of one-electron wave functions and analyses aspects of the atomic notation which carry over to the ...
W.G. Richards, P.R. Scott
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This chapter talks about orbital approximation, which carries over directly to molecules and is useful in understanding the electronic structure of atoms. It points out that the wave function for a molecule is expressed approximately as a product of one-electron wave functions and analyses aspects of the atomic notation which carry over to the ...
W.G. Richards, P.R. Scott
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1977
The diatomics-in-molecules (DIM) method is a technique for computing approximate electronic energies of polyatomic molecules from known information about their constituent diatomic and atomic fragments. The method bears a resemblance to the early semiempirical schemes of London(1) and Eyring and Polanyi,(2) and it could be considered a natural ...
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The diatomics-in-molecules (DIM) method is a technique for computing approximate electronic energies of polyatomic molecules from known information about their constituent diatomic and atomic fragments. The method bears a resemblance to the early semiempirical schemes of London(1) and Eyring and Polanyi,(2) and it could be considered a natural ...
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Adsorption kinetics of diatomic molecules
Phys. Chem. Chem. Phys., 2014The adsorption dynamics of diatomic molecules on solid surfaces is examined by using a Kinetic Monte Carlo algorithm.
Jared T, Burde, M Mercedes, Calbi
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2016
This chapter evaluates diatomic molecules. Atomic orbitals of the correct symmetry on adjoining atoms interact to form a bonding combination orbital and an antibonding combination orbital. Molecular orbitals that display cylindrical symmetry when viewed along the bond axis are called σ orbitals.
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This chapter evaluates diatomic molecules. Atomic orbitals of the correct symmetry on adjoining atoms interact to form a bonding combination orbital and an antibonding combination orbital. Molecular orbitals that display cylindrical symmetry when viewed along the bond axis are called σ orbitals.
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Vibronic intensities in diatomic molecules
International Journal of Quantum Chemistry, 2004AbstractThe object of this work is to use vibronic intensity distributions to determine the bond lengths of diatomic molecules in excited electronic states without having to evaluate Franck–Condon (FC) integrals. More specifically, the intent is to derive simple linear or quadratic expressions that provide good correspondence of bond lengths obtained ...
Wood, Dorothy +3 more
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Collinear diatomic molecule-diatomic molecule collisions treated in the sudden approximation
The Journal of Physical Chemistry, 1989Collinear collisions of H{sub 2} + Cl{sub 2} and O{sub 2} + Cl{sub 2} at 0.5, 1.0, 1.5, and 2.0 eV have been studied in the vibrational sudden approximation (VSA). The VSA applied only to molecule 2, the Cl{sub 2}, gives good transition probabilities for H{sub 2} + Cl{sub 2} but not for O{sub 2} + Cl{sub 2}.
S. Tellez, R. Hays, G. A. Pfeffer
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