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...  In Schrodinger’s model, there are four “quantum” numbers that tell us where an electron is likely to be located.  Principal (n), 1-7, gives the energy level  Subshell (l), s-p-d-f, gives the shape of region  Orbital (m), gives the orientation in space of the shapes  Spin (s), clockwise or coun ...
An Overview of Computational Chemistry
An Overview of Computational Chemistry

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Lecture 9 - ChemWeb (UCC)

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Bohr model and electron configuration

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... 4) atoms emit light quanta (photons) only of a few specific energies; this gives rise to the line spectrum (discussed in the previous lecture) ...
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... gain information about the energies of orbitals that are unoccupied in an atom’s ground state. Each of the following electron configurations represent an atom in an excited state. Identify the element and write its condensed ground-state configuration. (a) 1s22s22p63s1 (b) 1s22s22p63s23p64s23d44p1 ( ...
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Che-30042 Lecture 1 - Rob Jackson`s Website

... • There is a problem in calculating the electron repulsion energy because we are using 1-electron orbital wave functions – i.e. each orbital only contains one electron, so how can we explain how they interact? • The SCF method provides a way of correcting orbitals for the effect of other electrons. ...
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Week 8 - Day 3 (End of Chapter 6)
Week 8 - Day 3 (End of Chapter 6)

... Lewis theory gives good first approximations of the bond angles in molecules, but it usually cannot be used to get the actual angle. Resonance: Lewis theory cannot write one correct structure for many molecules, and multiple resonance structures is not “elegant”. Lewis theory often does not predict ...
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3. Electronic structure of atoms

... Change of the sign is therefore eligible since only the square of the wave function has physical meaning which does not change in this case, either. According to one of the postulates of quantum mechanics (so called Pauli principle) the wave function of the electrons must be anti-symmetric with resp ...
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Electrons in Atoms - Duplin County Schools

... Particle Nature of Light • The wave model of light cannot explain why heated objects emit only certain frequencies of light at a given temperature, or why some metals emit electrons when colored light of a specific frequency shines on them. • Obviously, a totally new model or a revision of the curr ...
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Chapter 7 - Quantum Numbers, Orbitals, and Electron
Chapter 7 - Quantum Numbers, Orbitals, and Electron

... the nucleus: they do not feel the full nuclear charge. Orbitals with a lower l value penetrate closer to the nucleus and are less shielded and have a lower energy than those with a higher l value. The result is that for a given value of n the energy order is s < p < d < f. Orbitals are filled from l ...
Mr. Knittel`s Final Review Sheet I Answers
Mr. Knittel`s Final Review Sheet I Answers

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MS Word - Timmel Group

... orbital in the latter case is sufficient) mathematically. Why are radial distribution functions used frequently in the discussion of atomic properties and periodic trends? 8. Show how you would construct the 3s radial distribution function from the 3s wavefunction. ...
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Quantum Model of the Atom

... Quantum Model of the Atom In the modern (quantum) model of the atom, electrons are found in regions of space called orbitals  Orbitals are clouds of probability where electrons are most likely to be found  The shape of these clouds is the result of plotting the solutions to very complicated mathe ...
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Molecular orbital



In chemistry, a molecular orbital (or MO) is a mathematical function describing the wave-like behavior of an electron in a molecule. This function can be used to calculate chemical and physical properties such as the probability of finding an electron in any specific region. The term orbital was introduced by Robert S. Mulliken in 1932 as an abbreviation for one-electron orbital wave function. At an elementary level, it is used to describe the region of space in which the function has a significant amplitude. Molecular orbitals are usually constructed by combining atomic orbitals or hybrid orbitals from each atom of the molecule, or other molecular orbitals from groups of atoms. They can be quantitatively calculated using the Hartree–Fock or self-consistent field (SCF) methods.
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