Optimal methods for calculation of the amount of intermolecular electron transfer

Journal of Chemical Physics

Volumn 117, Issue 15, 2002, Pages 6952-6958

  Szefczyk, Borys ^a   Sokalski, W Andrzej ^a   Leszczynski, Jerzy ^b  

^a WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

^b JACKSON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMS; CALCULATIONS; CARRIER CONCENTRATION; COMPLEXATION; ELECTROSTATICS; INTEGRATION; MOLECULES; NUMERICAL METHODS; POPULATION STATISTICS; SET THEORY; SULFUR COMPOUNDS;

ATOMS IN MOLECULES; CORRELATION CONSISTENT BASIS SETS; ELECTROSTATIC POTENTIALS; GRID BASED METHOD; INTERMOLECULAR ELECTRON TRANSFER; LEWIS ACID BASE ADDUCTS; MULLIKEN POPULATION; NATURAL POPULATION ANALYSIS;

ELECTRON TRANSPORT PROPERTIES;

EID: 0037109564     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1508367     Document Type: Article

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