Results 221 to 230 of about 40,146 (286)
Evidence of a two-dimensional nitrogen crystalline structure on silver surfaces. [PDF]
Nat CommunHu X +13 more
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State-Interaction Approach for <i>g</i>-Matrix Calculations in TDDFT: Ground-Excited State Couplings and beyond First-Order Spin-Orbit Effects. [PDF]
J Chem Theory ComputCebreiro-Gallardo A, Casanova D.
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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
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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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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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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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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2000
In a diatomic molecule, the interaction between the atoms depends on their electronic configuration. It is conceivable that a molecule is stable if one of the atoms is electronically excited, and unstable if both atoms are in their ground state. We study here such a scheme, and we focus in particular on the dissociation of the molecule when the ...
Jean-Louis Basdevant, Jean Dalibard
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In a diatomic molecule, the interaction between the atoms depends on their electronic configuration. It is conceivable that a molecule is stable if one of the atoms is electronically excited, and unstable if both atoms are in their ground state. We study here such a scheme, and we focus in particular on the dissociation of the molecule when the ...
Jean-Louis Basdevant, Jean Dalibard
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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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Molecular Collisions. II. Diatomic Molecules
Journal of Mathematical Physics, 1961A set of coupled integral equations describing the collisions of diatomic molecules is developed by exploitation of the properties of the irreducible representations of the three-dimensional rotation group. An expansion of the cross section in spherical harmonics is described, and its virtues argued.
Gioumousis, George, Curtiss, C. F.
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Heteronuclear diatomic molecules
2013Contents Polar bonds 225 The molecular orbital formulation 225 Brief illustration 25.1: Heteronuclear diatomic molecules 1 225 Electronegativity 225 Brief illustration 25.2 Electronegativity 226 The variation principle 226
Peter Atkins +2 more
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