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KEYWORD_EN:Molecular orbitals 73 result(s) found
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1. A DFT and QSAR Study of Several Sulfonamide Derivatives in Gas and Solvent

Robabeh Sayyadi kord Abadi;Asghar Alizadehdakhel;Soghra Tajadodi Paskiabei;
Journal of the Korean Chemical Society, vol. 60, iss. 4, 2016, pp. 225-234
 
2. Identification of Undifferentiated Embryonic Cell Transcription Factor 1 as aPotential Substrate of Carboxyl-Terminal Domain Small Phosphatases

Jimoo Hong;Hackyoung Kim;Chanin Park;Minky Son;Keun Woo Lee;Young Jun Kim;
Journal of the Korean Chemical Society, vol. 59, iss. 2, 2015, pp. 188-193
 
3. Molecular Bonding Force and Stiffness in Amine-Linked Single-Molecule Junc-tions Formed with Silver Electrodes

Taekyeong Kim;
Journal of the Korean Chemical Society, vol. 59, iss. 2, 2015, pp. 132-135
 
4. Quantitative Structure Activity Relationship Prediction of Oral Bioavailabilities Using Support Vector Machine

Mohammad Hossein Fatemi;Fatemeh Fadaei;
Journal of the Korean Chemical Society, vol. 58, iss. 6, 2014, pp. 543-552
 
5. Size Effect on Transport Properties of Liquid Argon: A Molecular Dynamics Simulation Study

Song Hi Lee;
Journal of the Korean Chemical Society, vol. 58, iss. 5, 2014, pp. 500-503
 
6. Theoretical Study of the N-(2,5-Methylphenyl)salicylaldimine Schiff Base Ligand: Atomic Charges, Molecular Electrostatic Potential, Nonlinear Optical (NLO) Effects and Thermodynamic Properties

Tugrul C. Zeyrek;
Journal of the Korean Chemical Society, vol. 57, iss. 4, 2013, pp. 461-471
 
7. Optimal Basis Functions for Siegert Resonance State Representation in Al2 Electronic Predissociation

Hyo Weon Jang;
Journal of the Korean Chemical Society, vol. 57, iss. 2, 2013, pp. 172-175
 
8. The Radial Distribution Functions of the Scaled OSS2 Water

Song Hi Lee;
Journal of the Korean Chemical Society, vol. 56, iss. 6, 2012, pp. 669-672
 
9. Corrosion Inhibition of Copper-nickel Alloy: Experimental and Theoretical Studies

Anees A. Khadom;Aprael S. Yaro;Ahmed Y. Musa;Abu Bakar Mohamad;Abdul Amir H. Kadhum;
Journal of the Korean Chemical Society, vol. 56, iss. 4, 2012, pp. 406-415
 
10. Thermophysical Properties of Acetophenone with Ethylchloroacetate at Temperatures of 303.15, 313.15 and 323.15 K

K. Saravanakumar;R. Baskaran;T. R. Kubendran;
Journal of the Korean Chemical Society, vol. 56, iss. 4, 2012, pp. 424-430