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- ...utational methods in chemistry and more recent and/or technical aspects of quantum chemistry, see [[computational chemistry]]. For theoretical concepts related to chemi ...g to their [[reactivity]] is one of the applications of quantum chemistry. Quantum chemistry lies on the border between [[chemistry]] and [[physics]], and significant c9 KB (1,219 words) - 14:19, 19 October 2010
- {{r|Quantum chemistry}}572 bytes (70 words) - 10:58, 11 January 2010
- {{r|Quantum chemistry}}546 bytes (71 words) - 12:57, 15 March 2024
- {{r|Quantum chemistry}}540 bytes (68 words) - 11:28, 11 January 2010
- {{r|Quantum chemistry}}678 bytes (85 words) - 18:36, 11 January 2010
- {{r|Quantum chemistry}}646 bytes (80 words) - 11:28, 11 January 2010
- In [[quantum chemistry]], an '''electron orbital''' (or more often just '''orbital''') is a synony ...ffective one-electron Schrödinger equations. This distinction faded out in quantum chemistry, resulting in the present definition of "normalizable one-electron functio10 KB (1,514 words) - 19:38, 20 November 2009
- * {{cite book | author=McQuarrie, Donald A | title=Quantum Chemistry | location=Mill Valley, Calif. | publisher=University Science Books | year996 bytes (130 words) - 03:14, 1 October 2013
- ...is one of several [[quantum chemistry]] [[post-Hartree-Fock]] [[ab initio quantum chemistry methods|ab initio methods]] in the field of [[computational chemistry]]. It | title = Quantum Chemistry10 KB (1,419 words) - 20:40, 10 February 2010
- ...eas of physics such as [[quantum mechanics]] (in the applied subfield of [[quantum chemistry]]), [[thermodynamics]], and [[electromagnetism]].14 KB (1,896 words) - 14:20, 27 December 2022
- In [[quantum chemistry]], '''Slater-type orbitals''' (STOs) are functions used as [[electron orbit5 KB (822 words) - 17:36, 14 November 2007
- ...ik, vol '''60''', pp. 491–527. English translation by H. Hettema, ''Quantum Chemistry, Classic Scientific Papers'', World Scientific, Singapore (2000)</ref> gave ...sche Chemie, pp. 222–251 (1930) English translation by H. Hettema, ''Quantum Chemistry, Classic Scientific Papers'', World Scientific, Singapore (2000)</ref> an15 KB (2,231 words) - 00:49, 21 October 2013
- ...Physik vol. '''48''', p. 469 (1929). English translation in H. Hettema, ''Quantum Chemistry, Classic Scientific Papers'', p. 81, World Scientific, Singapore (2000). La19 KB (2,981 words) - 18:31, 3 November 2021
- ...and [[Mathematics]] in deriving equations. It is usually associated with [[quantum chemistry]], [[theoretical chemistry]] and [[computational chemistry]]. ...ticular, the application of [[quantum mechanics]] to chemistry is called [[quantum chemistry]]. Since the end of the [[Second World War]], the development of computers22 KB (3,142 words) - 09:01, 4 May 2024
- In [[quantum mechanics]] and [[quantum chemistry]], an '''atomic orbital''' is a function of an electron that describes the In the pre-computer era of quantum chemistry, an atomic orbital (AO) was seen as a solution of a one-electron Schröding14 KB (2,265 words) - 05:37, 6 March 2024
- ...lus]] and mathematics in deriving equations. It is usually associated with quantum chemistry, theoretical chemistry, and computational chemistry. ...ticular, the application of [[quantum mechanics]] to chemistry is called [[quantum chemistry]]. Since the end of the [[Second World War]], the development of computers23 KB (3,309 words) - 09:41, 6 March 2024
- {{cite book |title=Relativistic quantum chemistry: the fundamental theory of molecular science |author=Markus Reiher, Alexand ...om/books?hl=en&lr=&id=sGsR18jJujYC&oi=fnd&pg=PA1 article] in ''Advances in Quantum Chemistry'', vol. 19, Academic Press, 1987 |url=http://books.google.com/books?id=KAN7 KB (1,096 words) - 05:49, 17 October 2013
- In quantum chemistry and molecular physics, a common unit of dipole moment is the [[atomic unit]17 KB (2,690 words) - 01:15, 22 September 2009
- In [[quantum chemistry]], a '''Gaussian type orbital''' (GTO) is an [[electron orbital#atomic orb15 KB (2,490 words) - 12:23, 19 April 2009
- ...the so-called ''Wannier functions''. See, for example, {{cite book |title=Quantum chemistry of solids: the LCAO first principles treatment of crystals |author=Robert A7 KB (1,045 words) - 09:16, 9 April 2011