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KEYWORD_EN:순이론계산 7 result(s) found
 
1. Range of DVR parameters for the Calculation of Vibrational Energy of Anharmonic Oscillators

기영 전;민오 양;
Journal of the Korean Chemical Society, vol. 60, iss. 3, 2016, pp. 163-168
 
2. Molecular Modeling Study on Morphine Derivatives Using Density Functional Methods and Molecular Descriptors

José Cotuá;Sandra Cotes;Pedro Castro;Fernando Castro;Liadys Mora;
Journal of the Korean Chemical Society, vol. 54, iss. 4, 2010, pp. 363-373
 
3. DFT Calculations for the Hydrogen Transfer Reaction in Bis(μ-oxo)dicopper-enzyme

기수 박;용호 김;
Journal of the Korean Chemical Society, vol. 53, iss. 5, 2009, pp. 499-504
 
4. Ab initio and DFT Study for the Internal Rotations of Cyclopropyldifluoroborane Molecule

정경 이;경이 김;
Journal of the Korean Chemical Society, vol. 50, iss. 4, 2006, pp. 291-297
 
5. Theoretical Study for the Molecular Structures and Spectroscopic Properties of Various C7H7+ Isomers and Transition States Between Them

창호 신;승준 김;
Journal of the Korean Chemical Society, vol. 49, iss. 3, 2005, pp. 247-254
 
6. An Application of Combining DFT Methods to Calculate the Vibrational Frequencies of All Three Conformers of 3-Chloro-1-butene

Min-Joo Lee;
Journal of the Korean Chemical Society, vol. 49, iss. 1, 2005, pp. 7-15
 
7. Vibrational Study of the Chain Conformation of the n-pentane

Liangyu Wang;Yunhong Zhang;
Journal of the Korean Chemical Society, vol. 49, iss. 1, 2005, pp. 16-28
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