The patent badge is an abbreviated version of the USPTO patent document. The patent badge does contain a link to the full patent document.

The patent badge is an abbreviated version of the USPTO patent document. The patent badge covers the following: Patent number, Date patent was issued, Date patent was filed, Title of the patent, Applicant, Inventor, Assignee, Attorney firm, Primary examiner, Assistant examiner, CPCs, and Abstract. The patent badge does contain a link to the full patent document (in Adobe Acrobat format, aka pdf). To download or print any patent click here.

Date of Patent:
Nov. 20, 2018

Filed:

Jul. 16, 2014
Applicant:

Lg Chem, Ltd., Seoul, KR;

Inventors:

Seungyup Lee, Daejeon, KR;

Hyesung Cho, Daejeon, KR;

Assignee:

LG CHEM, LTD., Seoul, KR;

Attorney:
Primary Examiner:
Int. Cl.
CPC ...
G06F 19/00 (2018.01); G06F 17/10 (2006.01);
U.S. Cl.
CPC ...
G06F 19/701 (2013.01); G06F 17/10 (2013.01);
Abstract

Disclosed herein are a method for constructing an extended R-MO library with mutually exclusive molecular orbital distribution, calculation method of molecular orbital distributing region and a system using the same. The molecular orbital distributing region estimation method using a molecular orbital library with a mutually exclusive orbital distribution can accurately molecular orbital distributing regions in a quantitative manner by means of an extended R-MO library that expresses intrinsic molecular distributing region properties in various patterns. In addition, the coverage of the quantitative molecular orbital distribution estimation method can be extended to the systemic utilization of molecular orbital information in developing materials.


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