EP 1941415 A2 20080709 - SYSTEM AND METHOD OF COMPUTING AND RENDERING THE NATURE OF POLYATOMIC MOLECULES AND POLYATOMIC MOLECULAR IONS
Title (en)
SYSTEM AND METHOD OF COMPUTING AND RENDERING THE NATURE OF POLYATOMIC MOLECULES AND POLYATOMIC MOLECULAR IONS
Title (de)
SYSTEM UND VERFAHREN ZUR BERECHNUNG UND DARSTELLUNG DER NATUR VON POLYATOMAREN MOLEKÜLEN UND IONEN MIT POLYATOMAREN MOLEKÜLEN
Title (fr)
SYSTEME ET PROCEDE DE CALCUL ET DE RENDU DE LA NATURE DE MOLECULES POLYATOMIQUES ET D'IONS MOLECULAIRES POLYATOMIQUES
Publication
Application
Priority
- US 2006042692 W 20061030
- US 73088205 P 20051028
- US 73215405 P 20051102
- US 73774405 P 20051118
- US 75852806 P 20060113
- US 78051806 P 20060309
- US 78869406 P 20060404
- US 81259006 P 20060612
- US 81525306 P 20060621
Abstract (en)
[origin: WO2007051078A2] A method and system of physically solving the charge, mass, and current density functions of polyatomic molecules, polyatomic molecular ions, diatomic molecules, molecular radicals, molecular ions, or any portion of these species using Maxwell's equations and computing and rendering the physical nature of the chemical bond using the solutions. The results can be displayed on visual or graphical media. The display can be static or dynamic such that electron motion and specie's vibrational, rotational, and translational motion can be displayed in an embodiment. The displayed information is useful to anticipate reactivity and physical properties. The insight into the nature of the chemical bond of at least one specie can permit the solution and display of those of other species to provide utility to anticipate their reactivity and physical properties.
IPC 8 full level
G01N 31/00 (2006.01); G06F 19/00 (2006.01); G06F 19/16 (2011.01)
CPC (source: EP)
G16C 20/80 (2019.01); G16C 10/00 (2019.01)
Designated contracting state (EPC)
AT BE BG CH CY CZ DE DK EE ES FI FR GB GR HU IE IS IT LI LT LU LV MC NL PL PT RO SE SI SK TR
Designated extension state (EPC)
AL BA HR MK RS
DOCDB simple family (publication)
WO 2007051078 A2 20070503; WO 2007051078 A3 20090430; EP 1941415 A2 20080709; EP 1941415 A4 20110105; WO 2007053486 A2 20070510; WO 2007053486 A3 20090507
DOCDB simple family (application)
US 2006042692 W 20061030; EP 06827305 A 20061030; US 2006042140 W 20061030