DFT and HF Thermodynamic Properties - Articles - Scientific Research Publishing

Removing Iron Ions Contaminants from Groundwater Using Modified Nano-Hydroxyapatite by Nano Manganese Oxide (Articles)

Mohammed Abd-El-Aal Ahmed Ayash, Tarek Ahmed Seaf Elnasr, Madiha Hassan Soliman

Journal of Water Resource and Protection Vol.11 No.6, June 30, 2019

DOI: 10.4236/jwarp.2019.116048 1,147 Downloads 2,700 Views Citations
Single Molecule Thermodynamics Hypothesis of Protein Folding and Drug Design (Articles)

Fang Yi

Journal of Biosciences and Medicines Vol.7 No.11, November 27, 2019

DOI: 10.4236/jbm.2019.711015 805 Downloads 1,921 Views Citations
Synthesis and Characterization of Citrus limonum Essential Oil Based Nanoemulsion and Its Enhanced Antioxidant Activity with Stability for Transdermal Application (Articles)

Harleen Kaur, Pranav Pancham, Ramneek Kaur, Shriya Agarwal, Manisha Singh

Journal of Biomaterials and Nanobiotechnology Vol.11 No.4, August 20, 2020

DOI: 10.4236/jbnb.2020.114014 1,419 Downloads 5,172 Views Citations
Experimental Investigation on Hydrothermal Reduction of Sulfates to H₂S and Organic Sulfides by Ethene (Articles)

Chao Han, Kangle Ding, Yan Liu, Fujia Guan, Mei Zou, Zhenzhen Yu, Yi Wu

Open Journal of Yangtze Oil and Gas Vol.5 No.4, September 7, 2020

DOI: 10.4236/ojogas.2020.54015 549 Downloads 1,664 Views Citations
Geophysical Investigation of the Triassic Salt Material Hazard: El Fahs Case Example (Northern Tunisia) (Articles)

Mohamed Khaled Bouzid, Adel Klai, Romdhane Haddad, Mohamed Chedly Rabia

International Journal of Geosciences Vol.11 No.11, November 9, 2020

DOI: 10.4236/ijg.2020.1111036 733 Downloads 1,891 Views Citations
From Pressure-Volume Relationship to Volume-Energy Relationship: A Thermo-Statistical Model for Alveolar Micromechanics (Articles)

Kyongyob Min

Applied Mathematics Vol.11 No.11, November 13, 2020

DOI: 10.4236/am.2020.1111075 673 Downloads 1,821 Views Citations
A Model Effective Mass Quantum Anharmonic Oscillator and Its Thermodynamic Characterization (Articles)

M. Vubangsi, F. B. Migueu, B. F. Kamsu, L. S. Yonya Tchapda, M. Tchoffo, L. C. Fai

Journal of Applied Mathematics and Physics Vol.9 No.2, February 25, 2021

DOI: 10.4236/jamp.2021.92022 570 Downloads 1,485 Views Citations
Thermodynamic Consistency and Thermomechanical Dynamics (TMD) for Nonequilibrium Irreversible Mechanism of Heat Engines (Articles)

Hiroshi Uechi, Lisa Uechi, Schun T. Uechi

Journal of Applied Mathematics and Physics Vol.9 No.6, June 30, 2021

DOI: 10.4236/jamp.2021.96093 378 Downloads 1,796 Views Citations
Global Warming Thermodynamics (Articles)

Qinghan Bian

Open Access Library Journal Vol.9 No.7, July 26, 2022

DOI: 10.4236/oalib.1108945 497 Downloads 8,592 Views Citations
Deformable Permanent Ferroelectric or Ferromagnetic Media (Articles)

Michael Grinfeld, Pavel Grinfeld

Journal of Applied Mathematics and Physics Vol.11 No.10, October 30, 2023

DOI: 10.4236/jamp.2023.1110202 169 Downloads 549 Views Citations
CI Acid Orange 52 Dye Removal Using Natural and Formulated Clay-Lime Materials: Isotherm, Kinetic and Thermodynamic Studies (Articles)

Fumba Gaston, Essomba Jean Serge, Ankoro Naphtali Odogu, Kouotou Daouda, Bélibi Bélibi Placide Désiré, Ndi Julius Nsami, Ketcha Mbadcam Joseph

Journal of Materials Science and Chemical Engineering Vol.11 No.11, November 30, 2023

DOI: 10.4236/msce.2023.1111005 628 Downloads 1,227 Views Citations
Quasi-Equilibrium Statistical Mechanics of Cosmological Systems in the Presence of Negative Temperatures (Articles)

Nikolay N. Fimin

Journal of High Energy Physics, Gravitation and Cosmology Vol.11 No.3, July 11, 2025

DOI: 10.4236/jhepgc.2025.113052 49 Downloads 290 Views Citations
Authentication and Secret Message Transmission Technique Using Discrete Fourier Transformation (Articles)

Debnath BHATTACHARYYA, Jhuma DUTTA, Poulami DAS, Samir Kumar BANDYOPADHYAY, Tai-hoon KIM

International Journal of Communications, Network and System Sciences Vol.2 No.5, August 21, 2009

DOI: 10.4236/ijcns.2009.25040 5,749 Downloads 10,481 Views Citations
First Principles Studies on the Electronic Structure and Band Structure of Paraelectric SrTiO₃ by Different Approximations (Articles)

H. Salehi

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

DOI: 10.4236/jmp.2011.29111 9,036 Downloads 17,212 Views Citations
Efficient Theoretical Screening of Solid Sorbents for CO₂ Capture Applications (Articles)

Yuhua Duan, David Luebke, Henry Henry Pennline

International Journal of Clean Coal and Energy Vol.1 No.1, February 28, 2012

DOI: 10.4236/ijcce.2012.11001 8,610 Downloads 20,495 Views Citations
Quantification of Inositol Hexa-Kis Phosphate in Environmental Samples (Articles)

Lynne P. Heighton, Merle Zimmerman, Clifford P. Rice, Eton E. Codling, John A. Tossell, Walter F. Schmidt

Open Journal of Soil Science Vol.2 No.1, March 28, 2012

DOI: 10.4236/ojss.2012.21009 5,077 Downloads 8,676 Views Citations
A DFT/ECP-Small Basis Set Modelling of Cisplatin: Molecular Structure and Vibrational Spectrum (Articles)

Nicolay I. Dodoff

Computational Molecular Bioscience Vol.2 No.2, June 29, 2012

DOI: 10.4236/cmb.2012.22004 6,916 Downloads 17,582 Views Citations
Ab Initio and Density Functional Theory (DFT) Study on Clonazepam (Articles)

Bachu Sylaja, Shanmugam Srinivasan

Open Journal of Biophysics Vol.2 No.3, July 27, 2012

DOI: 10.4236/ojbiphy.2012.23011 5,958 Downloads 12,402 Views Citations
Synthesis, Structural Study and Spectroscopic Characterization of a Quinolin-8-Yloxy Derivative with Potential Biological Properties (Articles)

Elida Romano, María V. Castillo, Jorgelina L. Pergomet, Juan Zinczuk, Silvia A. Brandán

Open Journal of Synthesis Theory and Applications Vol.2 No.1, January 28, 2013

DOI: 10.4236/ojsta.2013.21002 5,092 Downloads 9,485 Views Citations
Density Functional Theory Studies on the Addition and Abstraction Reactions of OH Radical with Benzoate Anion (Articles)

Nobuaki Tanaka, Shigeo Itoh

Open Journal of Physical Chemistry Vol.3 No.1, February 19, 2013

DOI: 10.4236/ojpc.2013.31002 6,221 Downloads 10,544 Views Citations

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