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Volumn 834-836, Issue SPEC. ISS., 2007, Pages 328-335

Novel material for second harmonic generation: 3-Amino-1,2,4-triazolinium(1+) hydrogen l-tartrate

Author keywords

3 Amino 1,2,4 triazolinium(1+) hydrogen l tartrate; B3LYP; Crystal structure; HF; MP2; Second harmonic generation; Vibrational spectra

Indexed keywords

CRYSTAL STRUCTURE; HARMONIC GENERATION; HYDROGEN BONDS; RAMAN SCATTERING; VIBRATIONAL SPECTRA; X RAY ANALYSIS;

EID: 33947635538     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2006.11.019     Document Type: Article
Times cited : (32)

References (28)
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    • M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, P. Salvador, J.J. Dannenberg, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian 98, Revision A.11, Gaussian, Inc., Pittsburgh PA, 2001.
  • 20
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    • GaussViewW, version 2.1, Gaussian, Inc., Pittsburgh PA, 2001.
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    • Russell D. Johnson III (Ed.), NIST Computational Chemistry Comparison and Benchmark DataBase, NIST Standard Reference Database Number 101 Release 10, May 2004, http://srdata.nist.gov/cccbdb/vibscalejust.asp.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.