Cclib: A library for package-independent computational chemistry algorithms

Journal of Computational Chemistry

Volumn 29, Issue 5, 2008, Pages 839-845

  O'Boyle, Noel M ^a   Tenderholt, Adam L ^b   Langner, Karol M ^c  

^a CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTRE   (United Kingdom)

^b STANFORD UNIVERSITY   (United States)

^c WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

Algorithms; Computational chemistry; Python

Indexed keywords

COMPUTATIONAL CHEMISTRY;

ALGORITHMS; COMPUTATION THEORY; GRAPHICAL USER INTERFACES;

ELECTRONIC STRUCTURE;

ALGORITHM; ARTICLE; CHEMICAL MODEL; COMPUTER PROGRAM; COMPUTER SIMULATION; FACTUAL DATABASE; INFORMATION SYSTEM;

ALGORITHMS; COMPUTER SIMULATION; DATABASES, FACTUAL; INFORMATION SYSTEMS; MODELS, CHEMICAL; SOFTWARE;

EID: 40549115627     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20823     Document Type: Article

References (37)