Results 221 to 230 of about 40,512 (286)
Automated Learning of a Dense Manifold of Electronic States and Electronic Energy Transfer and Reactions in Singlet O Collisions with N<sub>2</sub>. [PDF]
Research (Wash D C)Meng Q +4 more
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Constrained Nuclear-Electronic Orbital Theory for Quantum Computation. [PDF]
J Chem Theory ComputCulpitt T +3 more
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Integrating neutron vibrational spectroscopy and computer simulation to elucidate structure and dynamics of hydrogen. [PDF]
Struct DynCheng Y +3 more
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Fine Structure Investigation and Laser Cooling Study of the CdBr Molecule. [PDF]
Int J Mol SciMostafa A +4 more
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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
+4 more sources
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
openaire +2 more sources
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 ...
openaire +1 more source
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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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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