semiempirical
11PM3 (chemistry) — PM3, or Parameterized Model number 3, is a semi empirical method for the quantum calculation of molecular electronic structure in computational chemistry. It is based on the Neglect of Differential Diatomic Overlap integral approximation. The PM3 …
12Michael J. S. Dewar — Born September 24, 1918(1918 09 24) Ahmednagar, India, Asia Died October 10, 1997( …
13NDDO — stands for neglect of diatomic differential overlap. The formalism was first introduced by John Pople and it is now the basis of most successful semiempirical methods. While INDO added all one centre two electron integrals to the CNDO/2 formalism …
14AMPAC — is a general purpose semiempirical quantum chemistry program. It is marketed by Semichem, Inc. [ Computational Chemistry , David Young, Wiley Interscience, 2001. Appendix A. A.3.1 pg 341, AMPAC ] and was developed originally by Michael Dewar and… …
15radioactivity — /ray dee oh ak tiv i tee/, n. Physics, Chem. the phenomenon, exhibited by and being a property of certain elements, of spontaneously emitting radiation resulting from changes in the nuclei of atoms of the element. Also called activity. [1895… …
16chemical bonding — ▪ chemistry Introduction any of the interactions that account for the association of atoms into molecules, ions, crystals, and other stable species that make up the familiar substances of the everyday world. When atoms approach one another …
17Nuclear binding energy — is the energy required to split a nucleus of an atom into its component parts. The component parts are neutrons and protons, which are collectively called nucleons. If the binding energy for the products is higher when light nuclei fuse, or when… …
18Topic outline of chemistry — For a more comprehensive list, see the List of chemistry topics. Chemistry is the science of matter at the atomic to molecular scale, dealing primarily with collections of atoms, such as molecules, crystals, and metals. Chemistry deals with the… …
19Globular cluster — s from the Sun and contains hundreds of thousands of stars. [cite news coauthors =The Hubble Heritage team url = http://hubblesite.org/newscenter/newsdesk/archive/releases/1999/26/ title = Hubble Images a Swarm of Ancient Stars work = HubbleSite… …
20Theoretical chemistry — involves the use of physics to explain or predict chemical phenomena. In recent years, it has consisted primarily of quantum chemistry, i.e., the application of quantum mechanics to problems in chemistry. Theoretical chemistry may be broadly… …
