Mechanistic Study of Anticancer Activity of Some Known Aminopyrimidoisoquinolinequinones via QSAR Classification Methodology

Mohamed Osman Elfaki, Mukhtaar Qaaed S. Sultan, Inas Osman Khojali Mohammed

Abstract | References Full-Text HTML XML   Pub. Date: November 22, 2019

DOI: 10.4236/cc.2020.81001   Downloads    Views  Citations

Development of Predictive QSPR Model of the First Reduction Potential from a Series of Tetracyanoquinodimethane (TCNQ) Molecules by the DFT (Density Functional Theory) Method

Fatogoma Diarrassouba, Mawa Koné, Kafoumba Bamba, Yafigui Traoré, Mamadou Guy-Richard Koné, Edja Florentin Assanvo

Abstract | References Full-Text HTML XML   Pub. Date: October 22, 2019

DOI: 10.4236/cc.2019.74009   Downloads    Views  Citations

Computational Analysis of a Series of Chlorinated Chalcone Derivatives

Bradley O. Ashburn

Abstract | References Full-Text HTML XML   Pub. Date: October 16, 2019

DOI: 10.4236/cc.2019.74008   Downloads    Views  Citations

Structures, Lipophilicity, Dipole Moments, Acidity and Spectroscopic Properties of Non-Steroidal Anti-Inflammatory Drugs Diclofenac, Bromfenac and Amfenac: A Theoretical Study

Assoma Amon Benjamine, Bede Affoué Lucie, Yapo Kicho Denis, Bamba El Hadji Sawaliho

Abstract | References Full-Text HTML XML   Pub. Date: September 30, 2019

DOI: 10.4236/cc.2019.74007   Downloads    Views  Citations

Enumeration of Stereoisomers of Chiral and Achiral Derivatives of Monocyclic Cycloalkanes Having Heteromorphous Alkyl Substituents with Distinct Length k

Alphonse Emadak, Ibrahim Mbouombouo Ndassa, Beauregard Thomas Makon, Issofa Patouossa, Robert Martin Nemba

Abstract | References Full-Text HTML XML   Pub. Date: July 31, 2019

DOI: 10.4236/cc.2019.73006   Downloads    Views  Citations

Quantum Mechanical Studies on the Mode of Hydrogen Bonding, Stability and Molecular Conformations of Phenol-Water Complexes

Mrinal Jyoti Bezbaruah, Shruti Sharma, Benzir Ahmed, Bipul Bezbaruah

Abstract | References Full-Text HTML XML   Pub. Date: July 4, 2019

DOI: 10.4236/cc.2019.73005   Downloads    Views  Citations

Computation of Structure Activity and Design of Chalcone Derivatives

Yan Jiang, Qi Yang, Shuping Zhang

Abstract | References Full-Text HTML XML   Pub. Date: April 24, 2019

DOI: 10.4236/cc.2019.72004   Downloads    Views  Citations

Photofading of Derivatives of Paraben (PHB) by AM1 and PM3 Methods: A Theoretical Study

Krzysztof Wojciechowski, Lucjan Szuster

Abstract | References Full-Text HTML XML   Pub. Date: April 23, 2019

DOI: 10.4236/cc.2019.72003   Downloads    Views  Citations

Computational Analysis of Theacrine, a Purported Nootropic and Energy-Enhancing Nutritional Supplement

Bradley O. Ashburn, Diana J. Le, Corin K. Nishimura

Abstract | References Full-Text HTML XML   Pub. Date: December 28, 2018

DOI: 10.4236/cc.2019.71002   Downloads    Views  Citations

Molecular Modeling and Synthesis of Ethyl Benzyl Carbamates as Possible Ixodicide Activity

Vázquez-Valadez Víctor Hugo, Hernández-S. Manuel Alejandro, Velázquez-S. Ana María, Rosales-H. María, Leyva-R. Marco Antonio, Prado-O. María Guadalupe, Muñoz-G. Marco Antonio, Alba-H. Fernando, Abrego Víctor, Cruz-A. Diego, Ángeles Enrique

Abstract | References Full-Text HTML XML   Pub. Date: December 21, 2018

DOI: 10.4236/cc.2019.71001   Downloads    Views  Citations

Theoretical Design of Complex Molecule via Combination of Natural Lawsone and Synthetic Indoline D131 Dyes for Dye Sensitized Solar Cells Application

Nyanda Madili, Alexander Pogrebnoi, Tatiana Pogrebnaya

Abstract | References Full-Text HTML XML   Pub. Date: October 31, 2018

DOI: 10.4236/cc.2018.64007   Downloads    Views  Citations

Quantum Mechanical Study on the π-π Stacking Interaction and Change in Conformation of Phenolic Systems with Different Intermolecular Rotations

Ibrahim Ali, Shruti Sharma, Bipul Bezbaruah

Abstract | References Full-Text HTML XML   Pub. Date: October 20, 2018

DOI: 10.4236/cc.2018.64006   Downloads    Views  Citations

Theoretical Study by Density Functional Theory Method (DFT) of Stability, Tautomerism, Reactivity and Prediction of Acidity of Quinolein-4-One Derivatives

Affoué Lucie Bédé, Amon Benjamine Assoma, Kicho Denis Yapo, Mamadou Guy-Richard Koné, Soleymane Koné, Mawa Koné, Boka Robert N’Guessan, El-Hadji Sawaliho Bamba

Abstract | References Full-Text HTML XML   Pub. Date: July 25, 2018

DOI: 10.4236/cc.2018.63005   Downloads    Views  Citations

Conversion of 3,4-Dihydroxypyrrolidine-2,5-Dione to Maleimide through Tosylation and Mechanism Study by DFT

Maocai Yan, Zhen Zhang, Jinhui Zhou, Wei Li, Shuai Fan, Zhaoyong Yang

Abstract | References Full-Text HTML XML   Pub. Date: July 23, 2018

DOI: 10.4236/cc.2018.63004   Downloads    Views  Citations

Molecular Structure, Electronic Structure, Properties and Analyses of Five Azopyridine Ruthenium Complexes α-Cl, β-Cl, γ-Cl, δ-Cl and ε-Cl of RuCl₂(4,6-Dimethyl-Phenylazopyridine)₂ as Potential Cancer Drugs: DFT and TD-DFT Investigations

Nobel Kouakou N’Guessan, Kafoumba Bamba, Ouattara Wawohinlin Patrice, Nahossé Ziao

Abstract | References Full-Text HTML XML   Pub. Date: July 4, 2018

DOI: 10.4236/cc.2018.63003   Downloads    Views  Citations

Theoretical Investigations on the π-π Stacking Interactions in Phenol-Water Complexes

Shruti Sharma, Mrinal J Bezbaruah, Ibrahim Ali, Mahasweta Choudhury, Bipul Bezbaruah

Abstract | References Full-Text HTML XML   Pub. Date: April 30, 2018

DOI: 10.4236/cc.2018.62002   Downloads    Views  Citations

Quantum Chemical Studies of Some Hydrazone Derivatives

Mahougbe T. A. Kpota Houngue, Maurice N’bouke, Bardieu Atchade, Rodrigue Chabi Doco, Urbain A. Kuevi, Gaston A. Kpotin, Salomé D. S. Kpoviessi, Yacole G. S. Atohoun, Michael Badawi, Jean-Baptiste Mensah

Abstract | References Full-Text HTML XML   Pub. Date: February 28, 2018

DOI: 10.4236/cc.2018.61001   Downloads    Views  Citations

First-Principles Study of Electronic Structure and Optical Properties of Silicon/Carbon Nanotube

Wenyu Wang, Jiangang Xu, Yunguang Zhang, Guixia Li

Abstract | References Full-Text HTML XML   Pub. Date: October 27, 2017

DOI: 10.4236/cc.2017.54013   Downloads    Views  Citations

Structural and Spectral (IR, NMR and UV/Visible) Properties of Newly Designed Boronic Acid Derivatives Containing DO3A Sensitive to Uranyl Ion: A DFT and TD-DFT Study

Kübra Sarikavak, Fatma Sevin

Abstract | References Full-Text HTML XML   Pub. Date: October 16, 2017

DOI: 10.4236/cc.2017.54012   Downloads    Views  Citations

A Complete DFT, TD-DFT and Non-Linear Optical Property Study on 6-Amino-2-Methylpyridine-3-Carbonitrile

Durai Sakthi, Madhu Prakasam, Annamalai Prakasam, Santhanam Sivakumar, Ponnusamy Munusamy Anbarasan

Abstract | References Full-Text HTML XML   Pub. Date: July 27, 2017

DOI: 10.4236/cc.2017.53011   Downloads    Views  Citations