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Molecular Simulation Volume 34, 2008 - Issue 6
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Original Articles

Molecular structure and vibrational spectra of 4-nitrobenzylchloride by ab initio Hartree–Fock and density functional methods

N. Sundaraganesan Department of Physics (Engg.), Annamalai University, Annamalai Nagar, IndiaCorrespondence[email protected]
,
H. Umamaheswari Department of Science and Humanities, Srinivasa Institute of Technological and Management Studies, Chittoor, Andrapradesh, India
,
C. Meganathan Department of Physics (Engg.), Annamalai University, Annamalai Nagar, India
&
S. Sebastian Department of Physics (Engg.), Annamalai University, Annamalai Nagar, India
Pages 619-630 | Received 01 Sep 2007, Accepted 01 Mar 2008, Published online: 22 Aug 2008

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