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Chemistry 11 Exam 1 Spring 2006 When answering questions be
Chemistry 11 Exam 1 Spring 2006 When answering questions be

... When atoms form covalent bonds each can provide one electron. In molecular orbitals each atom possesses an atomic orbital. These two atomic orbitals combine to form new two new orbitals called molecular orbitals. In the MOs one is lower in energy than the atomic orbitals and the other is higher in e ...
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Chemistry Mid-Term Review Sheet

Chemical Bonding - The Free Information Society
Chemical Bonding - The Free Information Society

... actually required to break the chemical bond; the difference is the very small zero-point energy as explained inFig. 3. Bond energies are usually determined indirectly from thermodynamic data, but there are two main experimental ways of measuring them directly: 1. The direct thermochemical method in ...
Chapter 5 Equations for Wave Function
Chapter 5 Equations for Wave Function

... The following figure shows the labeling of sigma functions and hybrid orbitals we will use in carrying out these tasks. Taking the pendant atom sigma functions as the basis set, we can readily show that the reducible representation for the SALCs in D3h is Γσ= 2A1’ +A”2 +E.’ ...
Revision Y12 Chemistry PLC
Revision Y12 Chemistry PLC

... (iii) iii) the number of orbitals making up s-, p- and d-sub-shells, and the number of electrons that can fill s-, p- and d-sub-shells (c) filling of orbitals: (i) ...
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... Q68. The probability of finding an electron in the px orbital is (A) zero at nucleus (B) the same on all the sides around nucleus (C) zero on the z-axis (D) maximum on the two opposite sides of the nucleus along the x-axis Q69. The spin of the electron (A) increases the angular momentum (B) decrease ...
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... a) 25 g lead (density = 11.3 g/cm3) b) 15 cm3 aluminum (density = 2.70 g/cm3) c) 4.0 cm3 chromium (density = 7.20 g/cm3) ...
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... • The Pauli exclusion principle: only two electrons can occupy one atomic orbital and the two electrons have opposite spin • Hund’s rule: electrons will occupy empty degenerated orbitals before pairing up in the same orbital Electrons in inner shells (those below the outermost shell) are called core ...
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... Bonded atoms attain the stable electron configuration of a noble gas. The noble gases themselves exist as isolated atoms because that is their most stable condition. For the representative elements, the number of valence electrons is equal to the element’s group number in the periodic table. The tra ...
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... It has also been incorporated in a number of macrocyclic systems for use as molecular sensors, enzyme biosensors, switches, wires and shuttles, exploiting the inherent electron donor properties [3]. The main purposes of theoretical chemistry based on the adequate knowledge of the general behavior of ...
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... intermolecular interactions. The interactions: chemical bonds and intermolecular forces will be defined and sorted by their energies to illustrate the relative strength of coordination bond on the energy scale. The qualitative description of the valence bond and molecular orbital theories is present ...
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computational chemistry

... The reader is advised to start with this book and to then delve further into the computational literature pertaining to his or her speci®c work. It is impossible to reference all relevant works in a book such as this. The bibliography included at the end of each chapter primarily lists textbooks and ...
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... equal to sum of masses of all the protons and neutrons simply. Most of the elements in nature exist as mixture of isotopes. For these elements atomic mass is calculated on the bases of their abundance in nature and atomic masses of individual members. Isotopes: Atoms of same element which have same ...
AP Atomics Class Packet Unit 2 - Ms. Drury`s Flipped Chemistry
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... The rules that you have been applying in order to determine the electronic configuration of an atom are: A. Lowest energy orbitals are filled first. THE AUFBAU PRINCIPLE. B. Orbitals can only contain a maximum of two electrons and when two electrons enter the same orbital they must have opposite spi ...
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AP Atomics Class Packet Unit 2 - Ms. Drury`s Flipped Chemistry
AP Atomics Class Packet Unit 2 - Ms. Drury`s Flipped Chemistry

... The rules that you have been applying in order to determine the electronic configuration of an atom are: A. Lowest energy orbitals are filled first. THE AUFBAU PRINCIPLE. B. Orbitals can only contain a maximum of two electrons and when two electrons enter the same orbital they must have opposite spi ...
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... than 1 angstrom (Å), comment on the magnitude of this uncertainty compared to the size of the atom. Strategy The uncertainty in the velocity, 1 percent of 5×106 m/s, is Δu. Calculate Δx and compare it with the diameter of they hydrogen atom. ...
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Worksheet 3A on Molecules

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Lecture 8 Gaussian basis sets CHEM6085: Density Functional Theory

... 3) Substitute the expression for the basis set expansion of a molecular orbital into the Schrödinger equation for the Kohn-Sham orbitals and derive a matrix representation of the Schrödinger equation, involving the “matrix elements” of the Kohn-Sham Hamiltonian and the overlap matrix of the basis fu ...
Week 1 - School of Chemical Sciences
Week 1 - School of Chemical Sciences

... pz a2u ...
Part II. p-orbital physics in optical lattices
Part II. p-orbital physics in optical lattices

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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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