DFT and HF Thermodynamic Properties - Articles - Scientific Research Publishing

DFT and TD-DFT Study of Bis[2-(5-Amino-[1,3,4]-Oxadiazol-2-yl) Phenol](Diaqua)M(II) Complexes [M = Cu, Ni and Zn]: Electronic Structures, Properties and Analyses (Articles)

Nyiang Kennet Nkungli, Julius Numbonui Ghogomu, Ludovid Ngouo Nogheu, Shridhar Ramachandra Gadre

Computational Chemistry Vol.3 No.3, October 28, 2015

DOI: 10.4236/cc.2015.33005 4,568 Downloads 7,419 Views Citations
Molecular Docking and Conceptual DFT-Based Study of Some Potential SARS-CoV-2 Inhibitors (Articles)

Norma Flores-Holguín, Daniel Glossman-Mitnik

Computational Molecular Bioscience Vol.10 No.4, December 31, 2020

DOI: 10.4236/cmb.2020.104008 834 Downloads 2,442 Views Citations
Ab-Initio Structural Study of SrMoO₃ Perovskite (Articles)

Avinash Daga, Smita Sharma

Journal of Modern Physics Vol.3 No.12, December 21, 2012

DOI: 10.4236/jmp.2012.312238 4,785 Downloads 7,552 Views Citations
Effect of Tubular Chiralities and Diameters of Single Carbon Nanotubes on Gas Sensing Behavior: A DFT Analysis (Articles)

A. A. EL-Barbary, Kh. M. Eid, M. A. Kamel, H. M. Osman, G. H. G. H. Ismail

Journal of Surface Engineered Materials and Advanced Technology Vol.4 No.2, April 18, 2014

DOI: 10.4236/jsemat.2014.42010 6,080 Downloads 8,219 Views Citations
On DFT Molecular Simulation for Non-Adaptive Kernel Approximation (Articles)

Maharavo Randrianarivony

Advances in Materials Physics and Chemistry Vol.4 No.6, June 18, 2014

DOI: 10.4236/ampc.2014.46013 2,563 Downloads 3,812 Views Citations
Erratum to “On DFT Molecular Simulation for Non-Adaptive Kernel Approximation” [Advances in Materials Physics and Chemistry Vol. 4 No. 6 (June 2014) 105-115] (Articles)

Maharavo Randrianarivony

Advances in Materials Physics and Chemistry Vol.5 No.3, March 6, 2015

DOI: 10.4236/ampc.2015.53012 1,997 Downloads 3,322 Views Citations
Adsorption of CO, CO₂, NO and NO₂ on Boron Nitride Nanotubes: 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.3, July 8, 2015

DOI: 10.4236/jsemat.2015.53017 5,073 Downloads 7,007 Views Citations
A Generation Method of Dithering Signal Based on DFT (Articles)

Changqing Ye, Xingzhong Xiong

International Journal of Communications, Network and System Sciences Vol.10 No.8B, August 14, 2017

DOI: 10.4236/ijcns.2017.108B032 1,193 Downloads 3,282 Views Citations
Thermal Decomposition of Diphenyl Tetroxane in Chlorobenzene Solution (Articles)

Alexander G. Bordon, Andrea N. Pila, Mariela I. Profeta, María J. Jorge, Lilian C. Jorge, Jorge M. Romero, Nelly L. Jorge

International Journal of Organic Chemistry Vol.9 No.1, January 14, 2019

DOI: 10.4236/ijoc.2019.91001 1,004 Downloads 2,460 Views Citations
Extraction and Determination of Three Chlorophenols by Hollow Fiber Liquid Phase Microextraction - Spectrophotometric Analysis, and Evaluation Procedures Using Mean Centering of Ratio Spectra Method (Articles)

Zarrin Es'haghi

American Journal of Analytical Chemistry Vol.2 No.1, January 29, 2011

DOI: 10.4236/ajac.2011.21001 7,251 Downloads 15,608 Views Citations
Acute heart failure (suspected or confirmed): Initial diagnosis and subsequent evaluation with traditional and novel technologies (Articles)

Ahmad Shoaib, Thato Mabote, Mohamed Zuhair, Xenophon Kassianides, John G. F. Cleland

World Journal of Cardiovascular Diseases Vol.3 No.3, June 20, 2013

DOI: 10.4236/wjcd.2013.33046 4,996 Downloads 8,802 Views Citations
Automated Calibration of RF On-Wafer Probing and Evaluation of Probe Misalignment Effects Using a Desktop Micro-Factory (Articles)

F. T. von Kleist-Retzow, T. Tiemerding, P. Elfert, O. C. Haenssler

Journal of Computer and Communications Vol.4 No.3, March 2, 2016

DOI: 10.4236/jcc.2016.43009 2,949 Downloads 6,192 Views Citations
A Study on the Influence of Solar Flares on High Frequency Radio Propagation (Articles)

Khoder Khaled, Ahmad El Sayed Ahmad, Pascal Pagani, Rolland Fleury

Open Journal of Antennas and Propagation Vol.13 No.2, October 14, 2025

DOI: 10.4236/ojapr.2025.132003 65 Downloads 624 Views Citations
Predictive Performance of the Get-With-The-Guidelines Heart Failure (GWTG-HF) Score for In-Hospital Mortality in Cameroonians Admitted in 2025 at Laquintinie Hospital Douala (Articles)

Djibrilla Siddikatou, Christian Ngongang Ouankou, Valérie Ndobo, Marie Solange Ndom, Sidick Mouliom, Edgar Mandeng Ma Linwa, Alexia Mboulley, Raissa Tchounja Kamgang, Lok Xaviere Audrey Ndoumou, Hermann Nestor Tsague Kegni, Sylvia Kotta, Félicité Kamdem

Case Reports in Clinical Medicine Vol.15 No.4, April 3, 2026

DOI: 10.4236/crcm.2026.154020 39 Downloads 190 Views Citations
Adsorption studies of cyanide onto activated carbon and γ-alumina impregnated with cooper ions (Articles)

Liliana Giraldo, J.C. Moreno-Piraján

Natural Science Vol.2 No.10, October 29, 2010

DOI: 10.4236/ns.2010.210132 8,669 Downloads 15,995 Views Citations
Calculation of Standard Thermodynamic Potentials for Na-Zeolites with the Use of Linear Programming Problems (Articles)

Oleg Viacheslavovich Yeriomin

International Journal of Geosciences Vol.2 No.3, August 16, 2011

DOI: 10.4236/ijg.2011.23024 15,429 Downloads 35,748 Views Citations
Effect of Cyclodextrin Complexation on the Aqueous Solubility of Diazepam and Nitrazepam: Phase-Solubility Analysis, Thermodynamic Properties (Articles)

Jasmina Hadžiabdić, Alisa Elezović, Ognjenka Rahić, Indira Mujezin

American Journal of Analytical Chemistry Vol.3 No.12, December 25, 2012

DOI: 10.4236/ajac.2012.312107 6,949 Downloads 10,441 Views Citations
Removal of Zn (II) from Aqueous Solution onto Kaolin by Batch Design (Articles)

Bahia Meroufel, Omar Benali, Mohamed Benyahia, Mohamed Amine Zenasni, André Merlin, Béatrice George

Journal of Water Resource and Protection Vol.5 No.7, June 26, 2013

DOI: 10.4236/jwarp.2013.57067 4,591 Downloads 7,954 Views Citations
Dissociation Constant of N-(2-Acetamido)-Iminodiacetic Acid Monosodium (ADA) from (278.15 to 328.15) K (Articles)

Rabindra N. Roy, Lakshmi N. Roy, John J. Dinga, Mathew R. Medcalf, Katherine E. Hundley, Eric B. Hines, Clark B. Summers, Lucas S. Tebbe, Jamie Veliz

Open Journal of Physical Chemistry Vol.4 No.2, May 30, 2014

DOI: 10.4236/ojpc.2014.42011 4,371 Downloads 6,642 Views Citations
Interaction between Kaolin and Urea in Organoclay and Its Impact on Removing Methylene Blue from Aqueous Solution (Articles)

Sabri M. Husssein, Omar H. Shihab, Sattar S. Ibrahim, Naser M. Ahmed

World Journal of Nano Science and Engineering Vol.5 No.1, February 11, 2015

DOI: 10.4236/wjnse.2015.51001 4,392 Downloads 6,046 Views Citations

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