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Optimizing the Structure of Tetracyanoplatinate (II): A Comparison of Relativistic Density Functional Theory Methods

Journal: Current Inorganic Chemistry (Discontinued)
Volume: 3 Issue: 3 Year: 2013 Page: 213-219
Author(s): Asmus O. Dohn,Klaus B. Moller,Stephan P. A. Sauer

Density Field Theory Approach to Design Multi-Template Imprinted Polymers for Carcinogenic PAHs Sensing

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 16 Issue: 9 Year: 2013 Page: 682-694
Author(s): Muntazir S. Khan, Reddithota J. Krupadam

A New Proposal for the Estimation of the Aromatic Character

Journal: Letters in Organic Chemistry
Volume: 10 Issue: 4 Year: 2013 Page: 277-282
Author(s): Maurizio D`Auria

Design, Synthesis and Computational Studies of New Benzothiazole Substituted Quinazolines as Potential Antimicrobial Agents

Journal: Letters in Drug Design & Discovery
Volume: 10 Issue: 10 Year: 2013 Page: 957-966
Author(s): Amit B. Patel,Premlata Kumari,Suban K. Sahoo,Kishor H. Chikhalia

Synthesis and Template Studies of New Aza Macrocycles and one Cryptand Based on 2,6-diaminopyridine and its Computational NMR Studies Using Density Functional Theory

Journal: Letters in Organic Chemistry
Volume: 10 Issue: 4 Year: 2013 Page: 256-262
Author(s): Abbas Shockravi, Mahmood Kamali, Hadi Behzadi, Somayeh Pahlavan Moghanlo, Mahdieh Nategholeslam

Computational Studies of [(SnO2)n]m Nanotubes

Journal: Current Physical Chemistry
Volume: 3 Issue: 4 Year: 2013 Page: 451-476
Author(s): J. D. Santos,M. D. Ferreira,J. B. L. Martins,C. A. Taft,E. Longo

Structural and Molecular Docking Studies of 4-Benzyl-3-[(1-methylpyrrol- 2-yl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one with Anticancer Activity

Journal: Medicinal Chemistry
Volume: 9 Issue: 3 Year: 2013 Page: 313-328
Author(s): Agnieszka A. Kaczor,Monika Pitucha,Zbigniew Karczmarzyk,Waldemar Wysocki,Jolanta Rzymowska,Dariusz Matosiuk

Comprehensive Theoretical Investigation on the Regioselectivity in the Nucleophilic Ring Opening of Epoxides

Journal: Current Organic Synthesis
Volume: 10 Issue: 1 Year: 2013 Page: 169-177
Author(s): Xinyao Li,Zuoyin Yang,Jiaxi Xu

A Theoretical Study of Substitution Effect on an Electrocyclization Reaction

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 16 Issue: 5 Year: 2013 Page: 408-412
Author(s): Mohammad Reza Zardoost, Seyyed Amir Siadati

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