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effective nuclear charge
effective nuclear charge

... and they give slightly different trends  van der Waals radius = nonbonding ...
Lecture 15
Lecture 15

... as near degeneracy. Near degeneracy is important in crystal field theory, where weak ligand fields will split d-orbitals in two groups of two and three orbitals with different ...
Campbell Biology, 10e (Reece) Chapter 2 The Chemical Context of
Campbell Biology, 10e (Reece) Chapter 2 The Chemical Context of

Pairing in a system of a few attractive fermions in a harmonic trap
Pairing in a system of a few attractive fermions in a harmonic trap

... of opposite spins. The Hamiltonian (1) commutes separately &with the number of fermions in each spin component N̂σ = dx Ψ†σ (x)Ψσ (x). Due to the fact that in the Hamiltonian there are no terms changing number of fermions in each spin component Nσ , particles can be treated as distinguishable. There ...
Electronic Structure - Chemistry Teaching Resources
Electronic Structure - Chemistry Teaching Resources

... that lines are often split into triplets, quintuplets etc. ...
Preparation of G-ORME
Preparation of G-ORME

Non-Metallic, Monoatomic Forms of Transition Elements
Non-Metallic, Monoatomic Forms of Transition Elements

Electron
Electron

... • An orbital is the three-dimensional space where an electron is found 90% of the time • Each electron shell consists of a specific number of orbitals ...
Answers - U of L Class Index
Answers - U of L Class Index

Chapter 2
Chapter 2

Week 8 – Intermolecular Forces
Week 8 – Intermolecular Forces

... 16. Of the following pure substances, which has the highest melting point? (A) SiO2 (B) S8 (C) I2 (D) SO2 (E) C6H6 17. Iron, Fe, can be made into an alloy by mixing other elements such as carbon (C) or Manganese (Mn). If the same mole fraction of C and Mn are introduced separately into samples of Fe ...
Unit 3: Bonding and Nomenclature Content Outline: Chemical
Unit 3: Bonding and Nomenclature Content Outline: Chemical

A Molecular--Structure Hypothesis
A Molecular--Structure Hypothesis

... distribution of protons and neutrons would explain [11] the convergence from 1 to τ . It leaves a surface excess of protons, xe = Z − N τ , which converges to zero at Z = 102, N = 165, A = 267. These numbers represent limiting values for 100 natural elements and 300 nuclides. Scatter plots of xe vs ...
Quantum Numbers - Chemwiki
Quantum Numbers - Chemwiki

... electrons can have the same values for n, l, ml, and ms. Although the first three quantum numbers identify a specific orbital and may have the same values, the fourth is significant and must have opposite spins. Hund's Rule: Orbitals may have identical energy levels when they are of the same princip ...
Chap 12.
Chap 12.

... C3v character table reveals that NH3 , and other molecules of the same symmetry, can have only nondegenerate and two-fold degenerate energy levels. The following notation for symmetry species was introduced by Mulliken: (i) One dimensional representations are designated either A or B. Those symmetri ...
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chapter

Worksheet 1 Notes - Department of Chemistry | Oregon State
Worksheet 1 Notes - Department of Chemistry | Oregon State

... O is 1s22s22p4. O is very reactive (the principal quantum numbers 1 and 2 energy levels are ALMOST full. O readily gains two electrons to have the electron configuration 1s22s22p6 (like Ne). O- is not a stable ion. O- will readily gain another electron. ...
One-Particle Density Matrix Functional for Correlation in Molecular
One-Particle Density Matrix Functional for Correlation in Molecular

... 94 system of programs [26] at the coupled cluster doubles (CCD) level. We also included in Table I the total energies obtained with the Gaussian-3 (G3) theory [27]. This composite technique is designed to arrive at a total energy of a given molecular system. According to Table I, the values we obtai ...
Cu -Materials — Crystal Chemistry Meets Magnetism
Cu -Materials — Crystal Chemistry Meets Magnetism

... squares may share common oxygen positions forming structural arrangements as sketched in Fig. 2b-d. Depending on the number of shared oxygen atoms, they can form corner shared chains (see Fig. 2b), edge shared chains (Fig. 2c) or double chains (Fig. 2d). By combination of the chains a rich variety o ...
Chemical Bonding
Chemical Bonding

Atomic Structure - The Student Room
Atomic Structure - The Student Room

... of atomic (proton) number and mass (nucleon) number. The atomic number of the nucleus, also the proton number, shows the number of protons in the nucleus. It also defines the element. The number of neutrons added to the number of protons is the nucleon number or mass number. Eg. 12C 6 - 12 is the nu ...
AP Chemistry Second Semester Notes
AP Chemistry Second Semester Notes

Atom The smallest part of an element that can exist on its own
Atom The smallest part of an element that can exist on its own

... Dibasic acid One which has 2 replaceable H atoms per molecule Isotopes Atoms having the same atomic number but different mass numbers - As the number of protons increases, the number of neutrons increases relatively faster, so small atoms have proton and neutron numbers which are comparable whereas ...
Chapter-2
Chapter-2

... 1 = 1/4s + 1/4px + 1/4py + 1/4pz 2 = 1/4s - 1/4px - 1/4py + 1/4pz 3 = 1/4s + 1/4px - 1/4py - 1/4pz 4 = 1/4s - 1/4px + 1/4py -1/4pz ...
Slide 1
Slide 1

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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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