Results 231 to 240 of about 40,146 (286)
Some of the next articles are maybe not open access.
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
openaire +4 more sources
Homonuclear diatomic molecules
2013Contents Electron configurations 216 σ Orbitals and π orbitals 216 Brief illustration 24.1: Ground-state configurations 218 The overlap integral 218 Brief illustration 24.2: Overlap integrals 219
Peter Atkins +2 more
openaire +1 more source
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 ...
openaire +1 more source
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
1990
Abstract In this section we shall review some of the mathematical ideas you should have been exposed to in a course on quantum mechanics. If you find that you still do not understand the material described in this section and would like to read more, I suggest you try Chapter 8 of Feynman et al. (1966).
openaire +1 more source
Abstract In this section we shall review some of the mathematical ideas you should have been exposed to in a course on quantum mechanics. If you find that you still do not understand the material described in this section and would like to read more, I suggest you try Chapter 8 of Feynman et al. (1966).
openaire +1 more source
Electronic States in Diatomic Molecules
2007In this Chapter we specialize the concepts given in Chapter 7 for the electronic states by introducing specific forms for the wavefunctions in diatomic molecules. Two main lines of description can be envisaged. In the approach known as molecular orbital (MO) the molecule is built up in a way similar to the aufbau method in atoms, namely by ideally ...
Attilio Rigamonti, Pietro Carretta
openaire +1 more source
Targeting RNA structures with small molecules
Nature Reviews Drug Discovery, 2022, Robert T Batey, Matthew D Disney
exaly
The expanding role for small molecules in immuno-oncology
Nature Reviews Drug Discovery, 2022Rienk Offringa, Klaus Urbahns
exaly