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Volumn 111, Issue 1, 2010, Pages 71-77

Vibration frequencies using least squares and neural networks for 50 new s and p electron diatomics

Author keywords

Diatomics; Gas phase molecules; Least squares forecasts; Neural network forecasts; Vibration frequencies

Indexed keywords

DIATOMICS; GAS-PHASE MOLECULES; LEAST SQUARES FORECASTS; NEURAL NETWORK FORECASTS; VIBRATION FREQUENCIES;

EID: 70349813950     PISSN: 00224073     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jqsrt.2009.08.004     Document Type: Article
Times cited : (6)

References (13)
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  • 3
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    • An atlas of forecasted molecular data. 2. Vibration frequencies of main-group and transition-metal neutral gas-phase diatomic molecules in the ground state
    • Davis W.B., and Hefferlin R. An atlas of forecasted molecular data. 2. Vibration frequencies of main-group and transition-metal neutral gas-phase diatomic molecules in the ground state. J Chem Inf Mol Model 46 (2006) 820-825
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    • Davis, W.B.1    Hefferlin, R.2
  • 4
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    • On outliers and activity cliffs why QSAR often disappoints
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    • Hefferlin R. In: Baird D, Scerri E, McIntyre L, editors. Philosophy of chemistry. Dordrecht: Springer; 2006. p. 221-43 [Fig. 7 of the chapter is in error and the correct figure will be sent upon request].
    • Hefferlin R. In: Baird D, Scerri E, McIntyre L, editors. Philosophy of chemistry. Dordrecht: Springer; 2006. p. 221-43 [Fig. 7 of the chapter is in error and the correct figure will be sent upon request].
  • 6
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    • Hefferlin R. Kronecker-product periodic systems of small gas-phase molecules and the search for order in atomic ensembles of any phase. Comb Chem High-Through Screen 11 (2008) 691-706
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  • 7
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    • Correlations between average atomic numbers and spectroscopic constants of diatomic molecules
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    • Nalewajski, R.F.1    Thakkar, A.J.2
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.