Perovskite ZrTiPbO32 Density Functional Theory DFT - Articles

Identifying and Modeling Non-Functional Concerns Relationships (Articles)

Hakim Bendjenna, Pierre-Jean Charrel, Nacer Eddine Zarour

Journal of Software Engineering and Applications Vol.3 No.8, August 26, 2010

DOI: 10.4236/jsea.2010.38095 6,457 Downloads 12,830 Views Citations
Numerical Solution of Functional Integral and Integro-Differential Equations by Using B-Splines (Articles)

Hesam-Eldien Derili Gherjalar, Hossein Mohammadikia

Applied Mathematics Vol.3 No.12, December 17, 2012

DOI: 10.4236/am.2012.312265 5,509 Downloads 9,466 Views Citations
On the Usefulness of Search and Matching Models in Economics (Articles)

Gaetano Lisi

Theoretical Economics Letters Vol.11 No.3, June 15, 2021

DOI: 10.4236/tel.2021.113032 437 Downloads 1,988 Views Citations
Functional Analysis of Chemometric Data (Articles)

Ana M. Aguilera, Manuel Escabias, Mariano J. Valderrama, M. Carmen Aguilera-Morillo

Open Journal of Statistics Vol.3 No.5, October 9, 2013

DOI: 10.4236/ojs.2013.35039 5,116 Downloads 8,538 Views Citations
A Theoretical Study of Tris-(o-benzoquinonediimine)-First-Row Divalent Transition Metal Complexes (Articles)

Mohammad Abdul Matin, Samiran Bhattacharjee, Anwar Hossain

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

DOI: 10.4236/aces.2023.132013 303 Downloads 1,173 Views Citations
Predicting Framed Decisions: Simulation or Theory? (Articles)

Anton Kühberger, Claudia Luger-Bazinger

Psychology Vol.7 No.6, June 27, 2016

DOI: 10.4236/psych.2016.76095 4,141 Downloads 5,418 Views Citations
This article belongs to the Special Issue on Cognitive Psychology
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 5,750 Downloads 10,483 Views Citations
Investigation of the Optical Properties of CdBr₂ (Articles)

Hamdollah Salehi, Nastaran Asareh

Optics and Photonics Journal Vol.1 No.1, March 11, 2011

DOI: 10.4236/opj.2011.11001 5,486 Downloads 13,219 Views Citations
Silica Nano-Networks as Stretches on Segmented SU8 Rods for Sub-Wavelength Photonics (Articles)

Francois Doré, Bruno Bêche, Nolwenn Huby, F. Artzner, Lionel Camberlein, Etienne Gaviot

Optics and Photonics Journal Vol.1 No.1, March 11, 2011

DOI: 10.4236/opj.2011.11003 4,473 Downloads 9,446 Views Citations
First-Principles Study of the Optical Properties of SrHfO₃ (Articles)

Hamdollah Salehi, Hosein Tolabinejad

Optics and Photonics Journal Vol.1 No.2, June 29, 2011

DOI: 10.4236/opj.2011.12012 6,208 Downloads 12,602 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 9,037 Downloads 17,217 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 20,496 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 17,585 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 12,403 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 9,486 Views Citations
DFT Calculations on the Effect of Solvation on the Tautomeric Reactions for Wobble Gua-Thy and Canonical Gua-Cyt Base-Pairs (Articles)

Kazuya Nomura, Ryota Hoshino, Eisuke Shimizu, Yasuhiro Hoshiba, Victor I. Danilov, Noriyuki Kurita

Journal of Modern Physics Vol.4 No.3A, March 29, 2013

DOI: 10.4236/jmp.2013.43A059 4,871 Downloads 8,101 Views Citations
This article belongs to the Special Issue on Density Functional Theory
SARs Investigation of α-, β-, γ-, δ-, ε-RuCl₂(Azpy)₂ Complexes as Antitumor Drugs (Articles)

Kafoumba Bamba, Ouattara Wawohinlin Patrice, N’Guessan Kouakou Nobel, Nahossé Ziao

Computational Chemistry Vol.4 No.1, January 6, 2016

DOI: 10.4236/cc.2016.41001 3,305 Downloads 4,598 Views Citations
Theoretical and Electrochemical Characterization of δ-RuCl₂(Nazpy)₂: Application to Oxidation of D-Glucose (Articles)

Wawohinlin Patrice Ouattara, Kafoumba Bamba, Nahossé Ziao, Kouakou Nobel N’guessan

American Journal of Analytical Chemistry Vol.7 No.1, January 22, 2016

DOI: 10.4236/ajac.2016.71006 4,534 Downloads 5,807 Views Citations
Density Functional Theory Studies of Structural Properties and Natural Bond Orbital for a New Silver Halo Compound (Articles)

Shahriar Ghamami, Amir Lashgari

Open Access Library Journal Vol.1 No.3, June 3, 2014

DOI: 10.4236/oalib.1100422 1,246 Downloads 2,121 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 2,708 Downloads 6,988 Views Citations

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