DFT and HF Thermodynamic Properties - Articles - Scientific Research Publishing

Theoretical Study of N-Methyl-3-Phenyl-3-(4-(Trifluoromethyl) Phenoxy) Propan as a Drug and Its Five Derivatives (Articles)

Qabas M. Abdul Hussein AL-Makhzumi, Hussein I. Abdullah, Ramzie R. AL-Ani

Journal of Biosciences and Medicines Vol.6 No.8, August 29, 2018

DOI: 10.4236/jbm.2018.68007 1,230 Downloads 2,705 Views Citations
First Principles Investigation of the Structure and Properties of Superconducting Cubic Protactinium Hydride PaH₃ (Articles)

Tao Liu, Tao Gao

Journal of Applied Mathematics and Physics Vol.11 No.4, April 28, 2023

DOI: 10.4236/jamp.2023.114073 201 Downloads 703 Views Citations
Theoretical Study on the Self, Water-assisted and Au-to-assisted Dimer Proton Transfer Reaction in the N-Hydroxy-Methylen-Formamide (Articles)

Rezika Larabi, Yamina Belmiloud, Meziane Brahimi

Open Journal of Physical Chemistry Vol.1 No.2, August 25, 2011

DOI: 10.4236/ojpc.2011.12006 4,048 Downloads 9,442 Views Citations
Dipole Moments of the Bioactive Constituents Present in Flutab Drug by Ab-Initio Calculations (Articles)

Raghad Alajlani, Amal Alssadi

Open Journal of Physical Chemistry Vol.9 No.4, November 8, 2019

DOI: 10.4236/ojpc.2019.94013 1,101 Downloads 3,330 Views Citations
Evaluation of Activation Energy and Thermodynamic Properties of Enzyme-Catalysed Transesterification Reactions (Articles)

Ravindra Pogaku, Jegannathan Kenthorai Raman, Gujjula Ravikumar

Advances in Chemical Engineering and Science Vol.2 No.1, December 31, 2011

DOI: 10.4236/aces.2012.21018 12,502 Downloads 22,310 Views Citations
Structural and Electronic Properties of Impurities on Boron Nitride Nanotube (Articles)

Gabrielle P. Soares, Silvete Guerini

Journal of Modern Physics Vol.2 No.8, August 12, 2011

DOI: 10.4236/jmp.2011.28102 7,891 Downloads 14,716 Views Citations
The Effects of Oxidation States, Spin States and Solvents on Molecular Structure, Stability and Spectroscopic Properties of Fe-Catechol Complexes: A Theoretical Study (Articles)

Mohammad A. Matin, Mazharul M. Islam, Thomas Bredow, Mohammed Abdul Aziz

Advances in Chemical Engineering and Science Vol.7 No.2, March 7, 2017

DOI: 10.4236/aces.2017.72011 2,646 Downloads 6,694 Views Citations
Thermodynamic Assessment of the Pt-Sb System (Articles)

Jinming Liu, Yinghui Zhang, Cuiping Guo

International Journal of Nonferrous Metallurgy Vol.2 No.3, July 3, 2013

DOI: 10.4236/ijnm.2013.23013 4,904 Downloads 8,820 Views Citations
Modeling of UTSG in the Pressurized Water Reactor Using Accurate Formulae of Thermodynamic Properties (Articles)

Amir M. Alramady, Sheikha Al-Sharif, Sherif S. Nafee

Journal of Applied Mathematics and Physics Vol.9 No.5, May 19, 2021

DOI: 10.4236/jamp.2021.95065 431 Downloads 2,094 Views Citations
A Comparative Study of Electronic Properties of Bulk MoS2 and Its Monolayer Using DFT Technique: Application of Mechanical Strain on MoS2 Monolayer (Articles)

Sohail Ahmad, Sugata Mukherjee

Graphene Vol.3 No.4, October 20, 2014

DOI: 10.4236/graphene.2014.34008 15,503 Downloads 24,004 Views Citations
Ab Initio Calculations on Structural, Electronic and Optical Properties of ZnO in Wurtzite Phase (Articles)

Rita John, S. Padmavathi

Crystal Structure Theory and Applications Vol.5 No.2, May 13, 2016

DOI: 10.4236/csta.2016.52003 5,034 Downloads 8,379 Views Citations
Structures, Lipophilicity, Dipole Moments, Acidity and Spectroscopic Properties of Non-Steroidal Anti-Inflammatory Drugs Diclofenac, Bromfenac and Amfenac: A Theoretical Study (Articles)

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

Computational Chemistry Vol.7 No.4, September 30, 2019

DOI: 10.4236/cc.2019.74007 895 Downloads 2,981 Views Citations
Thermodynamic, Structural, Surface and Transport Properties of In-Tl Liquid Alloy at Different Temperatures (Articles)

K. K. Mishra, H. K. Limbu, A. Dhungana, I. S. Jha, D. Adhikari

World Journal of Condensed Matter Physics Vol.8 No.3, August 13, 2018

DOI: 10.4236/wjcmp.2018.83006 1,022 Downloads 2,491 Views Citations
Recalculate Structural, Elastic, Electronic, and Thermal Properties in LaAlO₃ Rhombohedral Perovskite (Articles)

Abdelkader Boudali, Fatiha Saadaoui, Mostefa Zemouli, Mohamed Driss Khodja, Kadda Amara

Advances in Materials Physics and Chemistry Vol.3 No.2, June 5, 2013

DOI: 10.4236/ampc.2013.32020 5,288 Downloads 9,085 Views Citations
Estimation of Thermodynamic Parameters for Better Conservation of Fresh Tomato (Lycopersicum esculentum) (Articles)

Clément Ahouannou, Codjo Goudjinou, Sibiath G. Osséni, Julien Adounkpe, Waliou Amoussa Hounkpatin, Basile Kounouhewa

Advances in Chemical Engineering and Science Vol.13 No.2, April 21, 2023

DOI: 10.4236/aces.2023.132012 233 Downloads 956 Views Citations
Study of the Thermodynamic Properties of Thermal Plasmas of Fluoroalkylamine-Air Mixtures (Articles)

Pafadnam Ibrahim, Kohio Nièssan, Yaguibou Wêpari Charles, Kagoné Abdoul Karim, Koalaga Zacharie, André Pascal

Advances in Materials Physics and Chemistry Vol.13 No.5, May 31, 2023

DOI: 10.4236/ampc.2023.135007 295 Downloads 1,042 Views Citations
Electronic and Structural Properties of Li₃AlP₂ and Li₃AlAs₂ from First Principles (Articles)

Mehrdad Dadsetani, Shirin Namjoo

Journal of Modern Physics Vol.2 No.9, September 16, 2011

DOI: 10.4236/jmp.2011.29110 4,653 Downloads 9,406 Views Citations
Structural, Electronic and Optical Properties of Sc_xAl_1-xN alloys within DFT Calculations (Articles)

Asma Said, Yasmina Oussaifi, Moncef Said

Journal of Applied Mathematics and Physics Vol.12 No.2, February 29, 2024

DOI: 10.4236/jamp.2024.122038 369 Downloads 1,194 Views Citations
Self-Consistent Field Theory of Ionization Collisions (Articles)

Essaid Zerrad

Journal of Modern Physics Vol.8 No.9, August 9, 2017

DOI: 10.4236/jmp.2017.89091 1,024 Downloads 2,297 Views Citations
Density of States in Intrinsic and n/p-Doped Hydrogenated Amorphous and Microcrystalline Silicon (Articles)

Larbi F., Belfedal Abdelkader, Sib J. D., Bouizem Y., Chahed L., Amaral A.

Journal of Modern Physics Vol.2 No.9, September 19, 2011

DOI: 10.4236/jmp.2011.29124 6,432 Downloads 11,149 Views Citations

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