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Journal of Molecular Modeling

Volumn 10, Issue 2, 2004, Pages 155-164

Optimization of parameters for semiempirical methods IV: Extension of MNDO, AM1 and PM3 to more main group elements

(1) Stewart, James J P a

a Stewart Computational Chemistry (United States)

Author keywords

AM1; MNDO; Parameter optimization; PM3; Semiempirical methods

Indexed keywords

ALKALI METAL; ANTIMONY; ARSENIC; BARIUM; BERYLLIUM; BISMUTH; BORON; CALCIUM; CESIUM; ELEMENT; GALLIUM; INDIUM; INERT GAS; LEAD; LITHIUM; MAGNESIUM; POTASSIUM; RADIOACTIVE ELEMENT; RUBIDIUM; SELENIUM; SODIUM; STRONTIUM; TELLURIUM; THALLIUM;

ANALYTIC METHOD; ANALYTICAL ERROR; ARTICLE; CHEMICAL PARAMETERS; COMPLEX FORMATION; CONTROLLED STUDY; CORRELATION FUNCTION; EMPIRICISM; GEOMETRY; HEAT; MATHEMATICAL ANALYSIS; NORMAL DISTRIBUTION; PRIORITY JOURNAL; PROCESS OPTIMIZATION;

CHEMISTRY, INORGANIC; ELEMENTS; EMPIRICAL RESEARCH; METALS;

ILEX COOKII;

EID: 2542462121 PISSN: 16102940 EISSN: None Source Type: Journal
DOI: 10.1007/s00894-004-0183-z Document Type: Article

Times cited : (258)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.