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- ...ic orbitals in the molecule. Molecular symmetry plays an important role in molecular orbital theory. In general MOs are adapted to symmetry, which has the consequence t ...efficients (weight factors) of an MO can be determined by semi-empirical [[molecular orbital theory]], which may or may not be of the [[self-consistent field]] type, or8 KB (1,408 words) - 09:47, 24 April 2010
- {{r|Molecular orbital theory}}965 bytes (124 words) - 17:23, 11 January 2010
- === Molecular orbital === ...alized over an entire [[molecule]]. The '''Hund-Mulliken''' approach or '''molecular orbital (MO) method''' is less intuitive to chemists, but has turned out capable of9 KB (1,219 words) - 14:19, 19 October 2010
- ...Hybridised orbitals are very useful in the explanation of the shape of [[molecular orbital]]s for [[molecule]]s. It is an integral part of [[valence bond theory]] and ...ion theory is, however, considered less useful and less informative than [[Molecular Orbital Theory]]. Problems with hybridization are especially notable when the ''d'14 KB (2,154 words) - 09:32, 12 November 2007
- ...closed shell is a set (usually the lowest in energy) of doubly occupied [[molecular orbital]]s.11 KB (1,582 words) - 07:52, 23 September 2009
- ...used in linear combinations forming [[electron orbital#molecular orbital|molecular orbital]]s. GTOs were proposed by Boys<ref>S. F. Boys, Proc. Royal Society, vol. ' ...l α are very diffuse (spread out) and can describe the behavior of a molecular orbital (MO) at large ''r''.15 KB (2,490 words) - 12:23, 19 April 2009
- * [[Molecular orbital]]11 KB (1,558 words) - 21:27, 10 November 2020
- ...heory''' is the theory that deals with the definition and computation of [[molecular orbital]]s (MOs). The branch of chemistry that studies MO theory is called [[quantu The purpose of molecular orbital theory is to obtain approximate solutions of the time-independent [[Schröd20 KB (3,082 words) - 17:39, 9 December 2008
- :*An unpaired electron is one that occupies an atomic or molecular orbital without an accompanying electron — orbitals have a maximal capacity f ::#[[Molecular orbital]]s31 KB (4,638 words) - 18:09, 29 October 2017
- ...n, while |Y ⟩ is approximated by the closed-shell wave function times molecular orbital |''y''⟩ containing the electron. The orbital |''x'' ⟩ transformin21 KB (3,426 words) - 23:58, 27 October 2013
- in the molecular-orbital-linear-combination-of-atomic-orbitals [[Molecular orbital#Qualitative_discussion|(LCAO-MO)]] approximation,20 KB (3,194 words) - 03:34, 8 November 2013
- [[Image:Electron orbitals.png|right|thumb|350px|[[Electron]] atomic and [[molecular orbital|molecular]] orbitals]] ...proaches, primarily based on principles of quantum chemistry such as the [[molecular orbital]] theory, are necessary.22 KB (3,142 words) - 09:01, 4 May 2024
- [[Image:Electron orbitals.png|right|thumb|350px|[[Electron]] atomic and [[molecular orbital|molecular]] orbitals]] ...proaches, primarily based on principles of quantum chemistry such as the [[molecular orbital]] theory, are necessary.23 KB (3,309 words) - 09:41, 6 March 2024
- ...are mixed (combined linearly) with orbitals on the ligands, thus forming [[molecular orbital]]s. Calculations bear out that transfer of more than one full electron to22 KB (3,166 words) - 06:33, 6 March 2024
- The highest occupied [[electron orbital|molecular orbital]]s, 1π<sub>''g,x''</sub> and 1π<sub>''g,y''</sub>, are directed perpendic12 KB (1,791 words) - 05:43, 6 March 2024
- ...structure|electronic band]]s. The mechanism is akin to the formation of [[molecular orbital]]s in molecules. An explanation of metallic bonding is offered by quantum m ...acting, and is called ''valence bond'' theory. On the other hand, in the ''molecular orbital'' approach, the atomic nuclei are considered as situated at some particular37 KB (5,836 words) - 05:36, 6 March 2024
- ...the explanation of which requires knowledge of '[[Molecular orbital theory|molecular orbital theory]]'. The plane of the molecule forms an isosceles triangle. Because24 KB (3,756 words) - 01:56, 29 April 2021
- ...Linus Pauling]] at Cal Tech, and John Slater into various theories such as Molecular Orbital Theory or Valence Theory.37 KB (5,578 words) - 04:54, 21 March 2024
- * [[Molecular orbital theory]]25 KB (3,396 words) - 13:29, 2 April 2024