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Journal of Molecular Structure: THEOCHEM

Volumn 681, Issue 1-3, 2004, Pages 57-63

Basis set effects on the ground and excited state of nitrogen containing organic molecules. p-Nitroaniline as a case study

(1) Rashid, Ali N a,b

a ETH ZURICH (Switzerland)

b UNIVERSITY OF NEW SOUTH WALES (Australia)

Author keywords

Ab initio; Excited state; Non linear optics; p Nitroaniline

Indexed keywords

4 NITROANILINE; NITROGEN; ORGANIC COMPOUND;

AB INITIO CALCULATION; ARTICLE; CHEMICAL STRUCTURE; ELECTROCHEMICAL ANALYSIS; GEOMETRY; MATHEMATICAL ANALYSIS; QUANTUM MECHANICS;

EID: 3542992112 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/j.theochem.2004.04.050 Document Type: Article

Times cited : (19)

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