DFT and HF Thermodynamic Properties - Articles - Scientific Research Publishing

A Nonlinear Microdilation Microcontinuum Theory with Nonlinear and Linear Microconstituent Kinematics for Thermoelastic Solids (Articles)

Karan S. Surana, James M. Johanes

Applied Mathematics Vol.17 No.2, February 27, 2026

DOI: 10.4236/am.2026.172008 46 Downloads 229 Views Citations
A First Principles Simulation Framework for the Interactions between a Si(001) Surface and a Scanning Probe (Articles)

Dung Q. Ly, Charalampos Makatsoris

Journal of Surface Engineered Materials and Advanced Technology Vol.2 No.3A, July 27, 2012

DOI: 10.4236/jsemat.2012.223030 4,772 Downloads 8,060 Views Citations
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Regioselective Direct Carboxylation of 2-Naphthol with Supercritical CO₂ in the Presence of K₂CO₃ (Articles)

Shigeki Furukawa, Kensuke Otokawa, Osamu Sasaki, Ken Nakayasu, Tatsuaki Yamaguchi

International Journal of Organic Chemistry Vol.3 No.3, September 24, 2013

DOI: 10.4236/ijoc.2013.33028 5,009 Downloads 8,143 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
Synthesis, Structural Characterization and DFT Studies of Silver(I) Complex Salt of Bis(4,5-dihydro-1H-benzo[g]indazole) (Articles)

Tanyi Rogers Fomuta, Golngar Djimassingar, Jean Ngoune, Nana Odette Ngnabeuye, Jean Jacques Anguile, Justin Nenwa

Crystal Structure Theory and Applications Vol.6 No.2, May 28, 2017

DOI: 10.4236/csta.2017.62002 1,471 Downloads 2,988 Views Citations
Synthesis, Rietveld Refinement and DFT Studies of Bis(4,5-dihydro-1H-benzo[g]indazole)silver(I) Hexafluorophosphate Complex Salt (Articles)

Tanyi Rogers Fomuta, Jean Ngoune, Golngar Djimassingar, Tayo Alain Djampouo, Junior Ma Ntep Tobie Matemb, Jean Jacques Anguile, Justin Nenwa

Open Journal of Inorganic Chemistry Vol.7 No.4, October 30, 2017

DOI: 10.4236/ojic.2017.74007 1,284 Downloads 2,884 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 3,337 Views Citations
Synthesis, Characterization and DFT Studies of Two Zinc(II) Complexes Based on 2-Isopropylimidazole (Articles)

Jean Jacques Anguile, Odette Nana Ngnabeuye, Ndosiri Ndoye Bridget, Tanyi Rogers Fomuta, Alvine Loris Djoumbissie, Alain Charly Kuate Tagne, Jean Ngoune

Open Journal of Inorganic Chemistry Vol.8 No.4, October 30, 2018

DOI: 10.4236/ojic.2018.84009 1,180 Downloads 3,034 Views Citations
DNA Base Pairs Sensors: DFT, QTAIM and NCI-RDG Study (Articles)

Nour Elyakine Amraoui, Dalila Hammoutène

Computational Chemistry Vol.12 No.4, October 31, 2024

DOI: 10.4236/cc.2024.124004 147 Downloads 929 Views Citations
Assessment of (2E)-1-(4-Methoxyphenyl)-3-(2-Phenyl H-Imidazo [1, 2-a] Pyridine-3-yl) Prop-2-en-1-One Adsorption for Aluminum Corrosion Inhibition in Hydrochloric Acid: Gravimetric, Thermodynamic, and DFT Study (Articles)

Mbouillé Cissé, Souleymane Bamba, Amadou Kouyaté, Mougo André Tigori, Kouadio Achille Yao, Bini Kouamé Dongui, Paulin Marius Niamien

Journal of Materials Science and Chemical Engineering Vol.13 No.10, October 31, 2025

DOI: 10.4236/msce.2025.1310003 45 Downloads 275 Views Citations
Fabrication of Nanocrystalline TiO₂ Thin Film Ammonia Vapor Sensor (Articles)

Shailesh Pawar, Manik Chougule, Sanjay Patil, Bharat Raut, Dhanaji Dalvi, Pramod Patil, Shashwati Sen, Pradeep Joshi, Vikas Patil

Journal of Sensor Technology Vol.1 No.1, March 18, 2011

DOI: 10.4236/jst.2011.11002 7,332 Downloads 16,664 Views Citations
Mechanical and superconducting properties of nanosize MgO added dip-coated Bi₂Sr₂CaCu₂O₈ superconducting tape (Articles)

Nasri A Hamid, Mohd Yusri Abd Rahman, Noor Fairuz Shamsudin

Natural Science Vol.3 No.6, June 22, 2011

DOI: 10.4236/ns.2011.36067 5,110 Downloads 9,686 Views Citations
Nanocrystalline CuO Thin Films for H₂S Monitoring: Microstructural and Optoelectronic Characterization (Articles)

Vikas Patil, Datta Jundale, Shailesh Pawar, Manik Chougule, Prsad Godse, Sanjay Patil, Bharat Raut, Shashwati Sen

Journal of Sensor Technology Vol.1 No.2, June 29, 2011

DOI: 10.4236/jst.2011.12006 7,623 Downloads 17,318 Views Citations
Effects of Dehulling on Functional and Sensory Properties of Flours From Black Beans (Phaseolus Vulgaris) (Articles)

Olayinka Akinjayeju, Olayinka F. Ajayi

Food and Nutrition Sciences Vol.2 No.4, July 1, 2011

DOI: 10.4236/fns.2011.24049 9,124 Downloads 16,213 Views Citations
Structural, Thermal and Electrical Property of Polycrystalline LaLiMo₂O₈ (Articles)

Sanjaya Brahma, Ram Naresh Prasad Choudhary, Awalendra Kumar Thakur, Srinivasarao Ajjampur Shivashankar

New Journal of Glass and Ceramics Vol.2 No.1, January 12, 2012

DOI: 10.4236/njgc.2012.21002 4,529 Downloads 8,710 Views Citations
A Spectroscopic Approach to Assess Heavy Metals Contents of the Mine Waste of Jalta and Bougrine in the North of Tunisia (Articles)

Sonia Gannouni, Noamen Rebai, Saadi Abdeljaoued

Journal of Geographic Information System Vol.4 No.3, June 8, 2012

DOI: 10.4236/jgis.2012.43029 7,456 Downloads 12,632 Views Citations
Effect of Antimony Additions on Corrosion and Mechanical Properties of Sn-Bi Eutectic Lead-Free Solder Alloy (Articles)

Alberto Torres, Luis Hernández, Octavio Domínguez

Materials Sciences and Applications Vol.3 No.6, June 18, 2012

DOI: 10.4236/msa.2012.36051 10,695 Downloads 15,753 Views Citations
Enhancement in Mechanical Properties of Polystyrene Filled with Carbon Nano-Particulates (CNP_S) (Articles)

Ayman A. Aly, Moustafa M. Mahmoud, Adel A. Omar

World Journal of Nano Science and Engineering Vol.2 No.2, June 22, 2012

DOI: 10.4236/wjnse.2012.22013 7,738 Downloads 11,630 Views Citations
Rheological Properties of Barley and Flaxseed Composites (Articles)

George. E. Inglett, Diejun Chen, Suyong Lee

Food and Nutrition Sciences Vol.4 No.1, January 15, 2013

DOI: 10.4236/fns.2013.41007 5,410 Downloads 9,637 Views Citations
Physicochemical and Functional Properties of Dehydrated Japanese Quail (Coturnix japonica) Egg White (Articles)

Maira Segura-Campos, Roberto Pérez-Hernández, Luis Chel-Guerrero, Arturo Castellanos-Ruelas, Santiago Gallegos-Tintoré, David Betancur-Ancona

Food and Nutrition Sciences Vol.4 No.3, March 19, 2013

DOI: 10.4236/fns.2013.43039 5,577 Downloads 9,383 Views Citations

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