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Most downloaded papers in Computational Chemistry

On the Accuracy of the Complete Basis Set Extrapolation for Anionic Systems: A Case Study of the Electron Affinity of Methane

Alejandro Ramírez-Solís

Computational Chemistry Vol.2 No.2, April 29, 2014

DOI: 10.4236/cc.2014.22005 6,274 Downloads 10,356 Views Citations
A Novel Spectrophotometric Method for Determination of Gabapentin in Pharmaceutical Formulations Using 2,5-Dihydroxybenzaldehyde

Magda S. Saleh, Ahmed K. Youssef, Elham Y. Hashem, Doaa A. Abdel-Kader

Computational Chemistry Vol.2 No.2, April 23, 2014

DOI: 10.4236/cc.2014.22004 5,788 Downloads 11,832 Views Citations
DFT Cancer Energy Barrier and Spectral Studies of Aspirin, Paracetamol and Some Analogues

Anwar El-Shahawy

Computational Chemistry Vol.2 No.1, January 10, 2014

DOI: 10.4236/cc.2014.21002 5,779 Downloads 22,674 Views Citations
Theoretical Study of 5-HTP. Potential New Drug Resulting from the Complexation of 5-HTP with ATP

Josette Weinberg, Dan A. Lerner

Computational Chemistry Vol.1 No.1, October 29, 2013

DOI: 10.4236/cc.2013.11001 5,682 Downloads 15,501 Views Citations
Quantum Chemical Studies of Endofullerenes (M@C60) Where M = H2O, Li+, Na+, K+, Be2+, Mg2+, and Ca2+

Osmair Vital de Oliveira, Arlan da Silva Gonçalves

Computational Chemistry Vol.2 No.4, December 5, 2014

DOI: 10.4236/cc.2014.24007 5,175 Downloads 6,701 Views Citations
DFT Study of Monochlorinated Pyrene Compounds

Ehab AlShamaileh

Computational Chemistry Vol.2 No.3, July 28, 2014

DOI: 10.4236/cc.2014.23006 5,152 Downloads 6,875 Views Citations
Detailing the Structure of Liquid THF Based on an EPSR Study

Alexandre Borges, João M. M. Cordeiro

Computational Chemistry Vol.3 No.1, December 26, 2014

DOI: 10.4236/cc.2015.31001 4,806 Downloads 5,619 Views Citations
Investigation of the Stability of Oxadiasole and Their Analogs Using Quantum Mechanics Computation

Masoud Karimi

Computational Chemistry Vol.4 No.1, January 13, 2016

DOI: 10.4236/cc.2016.41002 4,026 Downloads 4,803 Views Citations
Modeling Metal Binding Sites in Proteins by Quantum Chemical Calculations

Todor Dudev

Computational Chemistry Vol.2 No.2, March 26, 2014

DOI: 10.4236/cc.2014.22003 3,792 Downloads 9,298 Views Citations
The Cluster Fe₂Si₁₈ as the New Quantum Bit System

K. V. Simon, A. V. Tulub

Computational Chemistry Vol.3 No.2, May 28, 2015

DOI: 10.4236/cc.2015.32004 3,728 Downloads 4,289 Views Citations

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