WO2007053486A3 - System and method of computing and rendering the nature of polyatomic molecules and polyatomic molecular ions - Google Patents

System and method of computing and rendering the nature of polyatomic molecules and polyatomic molecular ions Download PDF

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Publication number
WO2007053486A3
WO2007053486A3 PCT/US2006/042140 US2006042140W WO2007053486A3 WO 2007053486 A3 WO2007053486 A3 WO 2007053486A3 US 2006042140 W US2006042140 W US 2006042140W WO 2007053486 A3 WO2007053486 A3 WO 2007053486A3
Authority
WO
WIPO (PCT)
Prior art keywords
polyatomic
nature
molecular ions
molecules
rendering
Prior art date
Application number
PCT/US2006/042140
Other languages
French (fr)
Other versions
WO2007053486A2 (en
Inventor
Randell L Mills
Original Assignee
Blacklight Power Inc
Randell L Mills
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Application filed by Blacklight Power Inc, Randell L Mills filed Critical Blacklight Power Inc
Publication of WO2007053486A2 publication Critical patent/WO2007053486A2/en
Publication of WO2007053486A3 publication Critical patent/WO2007053486A3/en

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Classifications

    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/80—Data visualisation
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C10/00—Computational theoretical chemistry, i.e. ICT specially adapted for theoretical aspects of quantum chemistry, molecular mechanics, molecular dynamics or the like

Landscapes

  • Engineering & Computer Science (AREA)
  • Data Mining & Analysis (AREA)
  • Chemical & Material Sciences (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Computing Systems (AREA)
  • Theoretical Computer Science (AREA)
  • Medicines That Contain Protein Lipid Enzymes And Other Medicines (AREA)
  • Crystals, And After-Treatments Of Crystals (AREA)

Abstract

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.
PCT/US2006/042140 2005-10-28 2006-10-30 System and method of computing and rendering the nature of polyatomic molecules and polyatomic molecular ions WO2007053486A2 (en)

Applications Claiming Priority (16)

Application Number Priority Date Filing Date Title
US73088205P 2005-10-28 2005-10-28
US60/730,882 2005-10-28
US73215405P 2005-11-02 2005-11-02
US60/732,154 2005-11-02
US73774405P 2005-11-18 2005-11-18
US60/737,744 2005-11-18
US75852806P 2006-01-13 2006-01-13
US60/758,528 2006-01-13
US78051806P 2006-03-09 2006-03-09
US60/780,518 2006-03-09
US78869406P 2006-04-04 2006-04-04
US60/788,694 2006-04-04
US81259006P 2006-06-12 2006-06-12
US60/812,590 2006-06-12
US81525306P 2006-06-21 2006-06-21
US60/815,253 2006-06-21

Publications (2)

Publication Number Publication Date
WO2007053486A2 WO2007053486A2 (en) 2007-05-10
WO2007053486A3 true WO2007053486A3 (en) 2009-05-07

Family

ID=37968633

Family Applications (2)

Application Number Title Priority Date Filing Date
PCT/US2006/042692 WO2007051078A2 (en) 2005-10-28 2006-10-30 System and method of computing and rendering the nature of polyatomic molecules and polyatomic molecular ions
PCT/US2006/042140 WO2007053486A2 (en) 2005-10-28 2006-10-30 System and method of computing and rendering the nature of polyatomic molecules and polyatomic molecular ions

Family Applications Before (1)

Application Number Title Priority Date Filing Date
PCT/US2006/042692 WO2007051078A2 (en) 2005-10-28 2006-10-30 System and method of computing and rendering the nature of polyatomic molecules and polyatomic molecular ions

Country Status (2)

Country Link
EP (1) EP1941415A4 (en)
WO (2) WO2007051078A2 (en)

Families Citing this family (7)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US7689367B2 (en) 2004-05-17 2010-03-30 Blacklight Power, Inc. Method and system of computing and rendering the nature of the excited electronic states of atoms and atomic ions
EP2100266A4 (en) * 2007-01-03 2011-05-25 Blacklight Power Inc System and method of computing and rendering the nature of molecules, molecular ions, compounds and materials
US20180137256A1 (en) * 2016-11-16 2018-05-17 Paul MERRITHEW System and method of calculating the structure and properties of chemicals
CN109446656B (en) * 2018-10-30 2020-11-24 浙江大学 Simulation analysis method of particle system based on combined super-ellipsoid model
CN109543268B (en) * 2018-11-14 2023-05-05 大连理工大学 TBM propulsion main influencing factor identification method based on kriging model
CN113238288B (en) * 2021-05-20 2022-07-01 桂林电子科技大学 Rotor wing target feature extraction method based on difference spectral line
WO2023142033A1 (en) * 2022-01-29 2023-08-03 刘畅源 Particle transport reaction cross section and path integral calculation method

Citations (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP2002008890A (en) * 2000-06-21 2002-01-11 Canon Inc Static eliminating
US20050209788A1 (en) * 2003-07-21 2005-09-22 Mills Randell L Method and system of computing and rendering the nature of the chemical bond of hydrogen-type molecules and molecular ions

Family Cites Families (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO2005067678A2 (en) * 2004-01-05 2005-07-28 Blacklight Power, Inc. Method and system of computing and rendering the nature of atoms and atomic ions

Patent Citations (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP2002008890A (en) * 2000-06-21 2002-01-11 Canon Inc Static eliminating
US20050209788A1 (en) * 2003-07-21 2005-09-22 Mills Randell L Method and system of computing and rendering the nature of the chemical bond of hydrogen-type molecules and molecular ions

Also Published As

Publication number Publication date
WO2007053486A2 (en) 2007-05-10
EP1941415A2 (en) 2008-07-09
EP1941415A4 (en) 2011-01-05
WO2007051078A3 (en) 2009-04-30
WO2007051078A2 (en) 2007-05-03

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