Density Functional Theory; DNA; Hydroxyl Radical; Base Pair; Reaction Mechanism; Dehydrogenation - Articles

Key Role of Some Specific Occupied Molecular Orbitals of Short Chain n-Alkanes in Their Surface Tension and Reaction Rate Constants with Hydroxyl Radicals: DFT Study (Articles)

Mikhail Yu Gorbachev, Natalia N. Gorinchoy, Ion Arsene

International Journal of Organic Chemistry Vol.11 No.1, January 29, 2021

DOI: 10.4236/ijoc.2021.111001 719 Downloads 1,901 Views Citations
Electric Field (EF) in the Core of the Electrochemical (EC) Disinfection (Articles)

Djamel Ghernaout

Open Access Library Journal Vol.7 No.7, July 28, 2020

DOI: 10.4236/oalib.1106587 387 Downloads 1,710 Views Citations
Relationship between Cr-Al Interaction and the Performance of Cr-Al₂O₃Catalysts for Isobutane Dehydrogenation (Articles)

Deren Fang, Jinbo Zhao, Shang Liu, Limei Zhang, Wanzhong Ren, Huimin Zhang

Modern Research in Catalysis Vol.4 No.2, April 22, 2015

DOI: 10.4236/mrc.2015.42007 4,340 Downloads 6,012 Views Citations
Investigation of electronic structure of Nd₂O₃: Experiment and theory (Articles)

Fareed Majeed Mohammad, Abdulhadi Mirdan Ghaleb, Sahariya Jagrati, Babu Lal Ahuja, Kailash Chandra Bhamu

Natural Science Vol.4 No.10, October 31, 2012

DOI: 10.4236/ns.2012.410106 4,247 Downloads 7,238 Views Citations
The Chiral Dirac-Hartree-Fock Approximation in QHD with Scalar Vertex Corrections (Articles)

Hiroshi Uechi

Open Access Library Journal Vol.5 No.7, July 24, 2018

DOI: 10.4236/oalib.1104739 524 Downloads 1,673 Views Citations
Investigation of Structural and Electronic Properties of [Tris(Benzene-1,2-Dithiolato)M]^3- (M = V, Cr, Mn, Fe and Co) Complexes: A Spectroscopic and Density Functional Theoretical Study (Articles)

Mohammad A. Matin, Md. Abdur Rahman

Advances in Chemical Engineering and Science Vol.9 No.4, October 9, 2019

DOI: 10.4236/aces.2019.94023 871 Downloads 2,825 Views Citations
Electronic Absorption Spectra and Third-Order Nonlinear Optical Property of Dinaphtho[2,3-b:2’,3’-d]Thiophene-5,7,12,13- Tetraone (DNTTRA) and Its Phenyldiazenyl Derivatives: DFT Calculations (Articles)

Ziran Chen, Yujin Zhang, Zhanrong He, Yonghua Guan, Yuan Li, Hongping Li

Computational Chemistry Vol.8 No.4, October 30, 2020

DOI: 10.4236/cc.2020.84005 649 Downloads 1,884 Views Citations
DFT Investigation of the Hydrogen Adsorption on Graphene and Graphene Sheet Doped with Osmium and Tungsten (Articles)

Balqees Suliman Alshareef

Open Journal of Physical Chemistry Vol.10 No.4, November 6, 2020

DOI: 10.4236/ojpc.2020.104012 829 Downloads 2,669 Views Citations
Redshift of Excitation Wavelength Caused by the Concentration of L-Tryptophan in Water: A Theoretical and Experimental Study (Articles)

Diana Milena Uriza-Prias, Antonio Méndez-Blas, Juan Francisco Rivas-Silva

Open Journal of Physical Chemistry Vol.11 No.2, May 26, 2021

DOI: 10.4236/ojpc.2021.112005 554 Downloads 2,865 Views Citations
Investigation of the Antioxidant and UV Absorption Properties of 2-(2’-hydroxy-5’-methylphenyl)-benzotriazole and Its Ortho-Substituted Derivatives via DFT/TD-DFT (Articles)

Numbonui Stanley Tasheh, Aymard Didier Tamafo Fouegue, Julius Numbonui Ghogomu

Computational Chemistry Vol.9 No.3, July 14, 2021

DOI: 10.4236/cc.2021.93010 497 Downloads 2,369 Views Citations
Research Progress on Aging Mechanisms (Articles)

Qiang Wang, Fengjuan Zhou, Wenmei Xie, Xiaorong Zhao, Xuan Liu

Advances in Aging Research Vol.5 No.2, March 17, 2016

DOI: 10.4236/aar.2016.52005 3,844 Downloads 6,318 Views Citations
Synthesis of α-Naphthol and 2,4,7-Trimethyl-Quinolin-5-ol by Using Manganese (III) Acetate and Analysis of Its Antimicrobial Properties (Articles)

Gülderen Uysal Akkuş

International Journal of Organic Chemistry Vol.6 No.1, March 15, 2016

DOI: 10.4236/ijoc.2016.61002 3,138 Downloads 5,001 Views Citations
Predictions of Electronic, Transport, and Structural Properties of Magnesium Sulfide (MgS) in the Rocksalt Structure (Articles)

Uttam Bhandari, Cheick Oumar Bamba, Yuriy Malozovsky, La Shounda Franklin, Diola Bagayoko

Journal of Modern Physics Vol.9 No.9, August 8, 2018

DOI: 10.4236/jmp.2018.99111 1,456 Downloads 3,336 Views Citations
Nutrigenomic Study on Immunomodulatory Function of Cordyceps Mycelium Extract (Paecilomyces hepiali) in Mitomycin C–Treated Mice (Articles)

Soo-Wan Chae, Fusako Mitsunaga, Su-Jin Jung, Ki-Chan Ha, Hong-Sig Sin, Seung-Hwan Jang, Shin Nakamura

Food and Nutrition Sciences Vol.5 No.22, December 5, 2014

DOI: 10.4236/fns.2014.522235 4,252 Downloads 6,034 Views Citations
Effect of a Natural Inulin-Containing Product, “Kikuimo Extract” on Intestinal Microbes and Gene Expression in the Liver and Adipose Tissue of Menopausal Monkeys (Articles)

Shigeo Nakayama, Fusako Mitsunaga, Akira Maeda, Shin Nakamura

Food and Nutrition Sciences Vol.7 No.9, July 25, 2016

DOI: 10.4236/fns.2016.79076 1,794 Downloads 3,057 Views Citations
Chemical Reaction and Crystalline Procedure of Bismuth Titanate Nanoparticles Derived by Metalorganic Decomposition Technique (Articles)

Weiliang Liu, Xinqiang Wang, Dong Tian, Chenglong Xiao, Zengjiang Wei, Shouhua Chen

Materials Sciences and Applications Vol.1 No.2, June 30, 2010

DOI: 10.4236/msa.2010.12016 6,031 Downloads 10,393 Views Citations
Some Insights into Cluster Structure of ⁹Be from ³He + ⁹Be Reaction (Articles)

S. M. Lukyanov, M. N. Harakeh, M. A. Naumenko, Yi Xu, W. H. Trzaska, V. Burjan, V. Kroha, J. Mrazek, V. Glagolev, Ŝ. Piskoř, E. I. Voskoboynik, S. V. Khlebnikov, Yu. E. Penionzhkevich, N. K. Skobelev, Yu. G. Sobolev, G. P. Tyurin, K. Kuterbekov, Yu. Tuleushev

World Journal of Nuclear Science and Technology Vol.5 No.4, October 28, 2015

DOI: 10.4236/wjnst.2015.54026 6,043 Downloads 7,348 Views Citations
Kinetics and Mechanism of the Uncatalyzed Esterification of Acid-Rich Oil with Glycerol (Articles)

Ke Li, Jie Chen, Xiaoan Nie, Jianchun Jiang

Open Journal of Applied Sciences Vol.12 No.1, January 5, 2022

DOI: 10.4236/ojapps.2022.121001 483 Downloads 2,295 Views Citations
The Effective Chiral Model of Quantum Hadrodynamics Applied to Nuclear Matter and Neutron Stars (Articles)

Hiroshi Uechi

Journal of Applied Mathematics and Physics Vol.3 No.2, January 30, 2015

DOI: 10.4236/jamp.2015.32017 4,975 Downloads 6,133 Views Citations
Stereoselective Synthesis of cis-Substituted-3’-anilino-2’, 3’-dihydro-4-2’-benzo[b]furanylcoumarins via Intramolecular Aldol Reactions (Articles)

Lokesh A. Shastri, Samundeeswari L. Shastri, Manohar V. Kulkarni, Vivek K. Gupta, Sanjeev Goswami

International Journal of Organic Chemistry Vol.2 No.1, March 15, 2012

DOI: 10.4236/ijoc.2012.21008 5,063 Downloads 10,606 Views Citations

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