DFT and HF Thermodynamic Properties - Articles - Scientific Research Publishing

The Thermodynamic Model on Paraffin Wax Deposition Prediction (Articles)

Baojun Liu, Wanting Sun, Chengting Liu, Liping Guo

Engineering Vol.7 No.12, December 24, 2015

DOI: 10.4236/eng.2015.712072 5,040 Downloads 6,411 Views Citations
Sesame Husk as Adsorbent for Copper(II) Ions Removal from Aqueous Solution (Articles)

Haitham Ahmed El-Araby, Abel Moneim Mohamed Ahmed Ibrahim, Ahmed Hashem Mangood, Adel A.-H. Abdel-Rahman

Journal of Geoscience and Environment Protection Vol.5 No.7, July 21, 2017

DOI: 10.4236/gep.2017.57011 2,364 Downloads 7,229 Views Citations
Thermodynamic Modeling of Uranium (VI) Reductive Immobilization in Groundwater of NPCC Sludge Storages (Novosibirsk, Russia) (Articles)

Olga L. Gaskova, A. E. Boguslavsky, A. V. Safonov

Journal of Geoscience and Environment Protection Vol.6 No.11, November 30, 2018

DOI: 10.4236/gep.2018.611014 640 Downloads 1,594 Views Citations
Thermal Pyrolysis of Waste Disposable Plastic Syringes and Pyrolysis Thermodynamics (Articles)

Adil Koç

Advances in Chemical Engineering and Science Vol.12 No.2, April 11, 2022

DOI: 10.4236/aces.2022.122008 506 Downloads 2,643 Views Citations
This article belongs to the Special Issue on Chemical Kinetics
A Class of Potentials for Hyperbolic Transcendental Entire Maps (Articles)

Irene Inoquio-Renteria

Advances in Pure Mathematics Vol.13 No.8, August 11, 2023

DOI: 10.4236/apm.2023.138032 253 Downloads 930 Views Citations
Dialectical Thermodynamics’ Solution to the Conceptual Imbroglio That Is the Reversible Path (Articles)

José C. Íñiguez

Journal of High Energy Physics, Gravitation and Cosmology Vol.10 No.2, April 23, 2024

DOI: 10.4236/jhepgc.2024.102047 188 Downloads 796 Views Citations
Research on Access Network Intrusion Detection System Based on DMT Technology (Articles)

Lingxi Wu, Jie Zhan, Qiange He, Shuiyan He

International Journal of Communications, Network and System Sciences Vol.3 No.5, May 31, 2010

DOI: 10.4236/ijcns.2010.35064 4,625 Downloads 8,757 Views Citations
Solvatochromism and Molecular Selectivity of C-(4-chlorophenyl)-N-phenylnitrone: A Photophysical Study (Articles)

Sneha Salampuria, Tandrima Chaudhuri, Manas Banerjee

Optics and Photonics Journal Vol.2 No.1, March 28, 2012

DOI: 10.4236/opj.2012.21005 4,533 Downloads 8,517 Views Citations
Effect of Monovacancy Defects on Adsorbing of CO, CO₂, NO and NO₂ on Carbon Nanotubes: First Principle Calculations (Articles)

Ahlam A. EL-Barbary, Gehan H. Ismail, Afaf M. Babeer

Journal of Surface Engineered Materials and Advanced Technology Vol.3 No.4, October 21, 2013

DOI: 10.4236/jsemat.2013.34039 3,923 Downloads 5,894 Views Citations
Theoretical Study of 5-HTP. Potential New Drug Resulting from the Complexation of 5-HTP with ATP (Articles)

Josette Weinberg, Dan A. Lerner

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

DOI: 10.4236/cc.2013.11001 6,299 Downloads 16,895 Views Citations
DFT Study of Monochlorinated Pyrene Compounds (Articles)

Ehab AlShamaileh

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

DOI: 10.4236/cc.2014.23006 5,698 Downloads 8,276 Views Citations
Quantum-Chemical Description of Influence of the R-Groups on Formation of Peptide Bond (Articles)

Jumber Kereselidze, Marine Kvaraia, George Mikuchadze

Computational Molecular Bioscience Vol.4 No.2, September 17, 2014

DOI: 10.4236/cmb.2014.42004 3,686 Downloads 5,011 Views Citations
Computational Study of the Molecular Complexes between 5-HTP with ATP and DHEA. Potential New Drug Resulting from This Complexation (Articles)

Dan A. Lerner, Constantin Balaceanu-Stolnici, Josette Weinberg, Luminita Patron

Computational Chemistry Vol.3 No.1, January 16, 2015

DOI: 10.4236/cc.2015.31003 3,612 Downloads 4,967 Views Citations
Adsorption of CO, CO₂, NO and NO₂ on Carbon Boron Nitride Hetero Junction: DFT Study (Articles)

A. A. El-Barbary, Kh. M. Eid, M. A. Kamel, H. O. Taha, G. H. Ismail

Journal of Surface Engineered Materials and Advanced Technology Vol.5 No.4, July 16, 2015

DOI: 10.4236/jsemat.2015.54019 4,923 Downloads 6,652 Views Citations
Structural, Spectral (IR and UV/Visible) and Thermodynamic Properties of Some 3d Transition Metal(II) Chloride Complexes of Glyoxime and Its Derivatives: A DFT and TD-DFT Study (Articles)

Ludovid Ngouo Nogheu, Julius Numbonui Ghogomu, Desire Bikele Mama, Nyiang Kennet Nkungli, Elie Younang, Shridhar Ramachandra Gadre

Computational Chemistry Vol.4 No.4, October 25, 2016

DOI: 10.4236/cc.2016.44011 2,287 Downloads 4,668 Views Citations
Extended Koopmans’ Approximation for CASDFT Exchange-Correlation Functional (Articles)

Sergey Gusarov, Yurii Dmitriev

Journal of Applied Mathematics and Physics Vol.6 No.6, June 21, 2018

DOI: 10.4236/jamp.2018.66104 944 Downloads 2,772 Views Citations
DFT-Based Prediction of Bioconcentration Factors of Polychlorinated Biphenyls in Fish Species Using Molecular Descriptors (Articles)

Anil Kumar Soni, Pratibha Singh, Vishnu Kumar Sahu

Advances in Biological Chemistry Vol.10 No.1, February 6, 2020

DOI: 10.4236/abc.2020.101001 769 Downloads 2,078 Views Citations
Crystal Packing Studies, Thermal Properties and Hirshfeld Surface Analysis in the Zn(II) Complex of 3-Aminopyridine with Thiocyanate as Co-Ligand (Articles)

Divine Mbom Yufanyi, Hubert Jean Nono, Amah Colette Benedicta Yuoh, Che Dieudonne Tabong, Wirsiy Judith, Agwara Moise Ondoh

Open Journal of Inorganic Chemistry Vol.11 No.3, July 8, 2021

DOI: 10.4236/ojic.2021.113005 561 Downloads 2,182 Views Citations
Catechin and Epicatechin. What’s the More Reactive? (Articles)

Essoh Akpa Eugène, N’guessan Boka Robert, Adenidji Ganiyou, Yapo Kicho Denis, Adjou Ané, Bamba El Hadji Sawaliho

Computational Chemistry Vol.10 No.2, March 11, 2022

DOI: 10.4236/cc.2022.102003 670 Downloads 4,237 Views Citations
Spectroscopic Electrochemical Properties and DFT Calculation of 1-Aryltriazenes (Articles)

Insa Seck, Mohamed Lamine Sall, Atoumane Ndiaye, Samba Fama Ndoye, Lalla Aïcha Ba, Matar Seck

International Journal of Organic Chemistry Vol.13 No.4, December 6, 2023

DOI: 10.4236/ijoc.2023.134009 311 Downloads 1,456 Views Citations

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