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Quantum Chemical Studies of Some Sulphanilamide Schiff Bases Inhibitor Activity Using QSAR Methods
Elham Baher  Naser Darzi  Ali Morsali  Safar Ali Beyramabadi
Vol. 59, No. 6, pp. 483-487, Dec. 2015
10.5012/jkcs.2015.59.6.483
Quantum Chemical Studies of Some Sulphanilamide Schiff Bases Inhibitor Activity Using QSAR Methods
Elham Baher  Naser Darzi  Ali Morsali  Safar Ali Beyramabadi
Vol. 59, No. 6, pp. 483-487, Dec. 2015
10.5012/jkcs.2015.59.6.483
Synthesis, Characterization, DFT Modeling and Antimicrobial Studies on the Ti(IV), Y(III) and Ce(IV) Ofloxacin Solid Complexes
Sadeek A Sadeek  Wael A Zordok  Walaa H El Shwiniy
Vol. 57, No. 5, pp. 574-590, Oct. 2013
10.5012/jkcs.2013.57.5.574
Comparison Chosen DFT Methods with Six Basis Sets on Harmine Molecule
Maryam Malekzadeh  Emran Heshmati
Vol. 57, No. 1, pp. 20-24, Feb. 2013
10.5012/jkcs.2013.57.1.020
Theoretical Study for Structures and Spectroscopic Properties of C60(CH2)nOH (n=0~2) and C60(OH)2
Ju Young Lee  Seung Joon Kim
Vol. 55, No. 6, pp. 905-911, Dec. 2011
10.5012/jkcs.2011.55.6.905
Theoretical Studies of Hydrogen Bond Interactions in 4-Substituted Benzoic Acids Dimers
Alireza Salimi Beni Alireza Najafi Chermahini  Hashem Sharghi
Vol. 55, No. 3, pp. 392-399, Jun. 2011
10.5012/jkcs.2011.55.3.392
DFT and Time-dependant DFT Investigation of eLectronic Structure, Phosphorescence and Electroluminescence Properties of Iridium (III) Quinoxaline Complexes
Xiao Qing Zhou  Ying Li  Yan Bo Sun  Hong Xing Zhang
Vol. 55, No. 3, pp. 354-363, Jun. 2011
10.5012/jkcs.2011.55.3.354
Theoretical Investigation for the Molecular Structure and Binding Energies of C6H6+-(H2O)n (n = 1 - 5) Complexes
Si Jo Kim  Seung Joon Kim
Vol. 54, No. 6, pp. 671-679, Dec. 2010
10.5012/jkcs.2010.54.6.671
Theoretical study for the molecular structures and spectroscopic properties of various boron hydrides (BnHn, BnHn+1, BnHn+2, n = 3-6)
Si Jo Kim  Mi Sun Song  Seung Joon Kim
Vol. 54, No. 4, pp. 387-394, Aug. 2010
10.5012/jkcs.2010.54.4.387
Molecular Modeling Study on Morphine Derivatives Using Density Functional Methods and Molecular Descriptors
José Cotuá  Sandra Cotes  Pedro Castro  Fernando Castro  Liadys Mora

Vol. 54, No. 4, pp. 363-373, Aug. 2010
10.5012/jkcs.2010.54.4.363

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ISSN(Print) 1017-2548
ISSN(Online) 2234-8530