Molecular Modelling Computations - Articles - Scientific Research Publishing

Spectroscopic Characterization, Molecular Modeling and DFT/TD-DFT/PCM Calculations of Novel Hydrogen-Bonded Charge Transfer Complex between Chloranilic Acid and 2-Amino-4,6-Dimethylpyridine (Articles)

Khairia M. Al-Ahmary, Fatimah A. Alshehri, Faten M. Atlam, Mohamed K. Awad

Open Journal of Physical Chemistry Vol.10 No.1，February 13, 2020

DOI: 10.4236/ojpc.2020.101001 787 Downloads 2,349 Views Citations
Extracting the Atomic Coordinates and Connectivity of Zirconia Nanotubes from PDB Files for Modelling in ANSYS (Articles)

Ibrahim D. Muhammad, Mokhtar Awang

Advances in Nanoparticles Vol.3 No.3，August 18, 2014

DOI: 10.4236/anp.2014.33013 5,157 Downloads 6,352 Views Citations
Analysis of Pupils’ Difficulties in Solving Questions Related to Fractions: The Case of Primary School Leaving Examination in Tanzania (Articles)

Joyce Lazaro Ndalichako

Creative Education Vol.4 No.9B，September 30, 2013

DOI: 10.4236/ce.2013.49B014 7,094 Downloads 10,117 Views Citations
Understanding the Theory of Karp, Miller and Winograd (Articles)

Athanasios I. Margaris

Journal of Applied Mathematics and Physics Vol.12 No.4，April 26, 2024

DOI: 10.4236/jamp.2024.124075 82 Downloads 387 Views Citations
The LBFGS quasi-Newtonian method for molecular modeling prion AGAAAAGA amyloid fibrils (Articles)

Jiapu Zhang, Yating Hou, Yiju Wang, Changyu Wang, Xiangsun Zhang

Natural Science Vol.4 No.12A，December 31, 2012

DOI: 10.4236/ns.2012.412A138 4,392 Downloads 7,459 Views Citations
This article belongs to the Special Issue on Bioinformatics, Proteomics, Systems Biology and Their Impacts to Biomedicine
Numerical Methods for Solving Turbulent Flows by Using Parallel Technologies (Articles)

Alibek Issakhov

Journal of Computer and Communications Vol.1 No.1，February 6, 2013

DOI: 10.4236/jcc.2013.11001 3,642 Downloads 9,962 Views Citations
Evolution of an Emerging Symmetric Quantum Cryptographic Algorithm (Articles)

Omer K. Jasim, Safia Abbas, El-Sayed M. Horbaty, Abdel-Badeeh M. Salem

Journal of Information Security Vol.6 No.2，March 12, 2015

DOI: 10.4236/jis.2015.62009 4,760 Downloads 6,169 Views Citations
A New Algorithm for Generalized Least Squares Factor Analysis with a Majorization Technique (Articles)

Kohei Adachi

Open Journal of Statistics Vol.5 No.3，April 27, 2015

DOI: 10.4236/ojs.2015.53020 3,295 Downloads 4,977 Views Citations
This article belongs to the Special Issue on Multivariate Analysis
Grayscale Mapping of Historically Irrigated LandsUsing GIS (Articles)

Thomas C. Turney

Journal of Geographic Information System Vol.4 No.1，January 17, 2012

DOI: 10.4236/jgis.2012.41005 6,647 Downloads 10,186 Views Citations
Minimum Description Length Methods in Bayesian Model Selection: Some Applications (Articles)

Mohan Delampady

Open Journal of Statistics Vol.3 No.2，April 26, 2013

DOI: 10.4236/ojs.2013.32012 4,561 Downloads 7,316 Views Citations
Spin nature of genetic code (Articles)

Alexander A. Tulub, Vassily E. Stefanov

Journal of Biophysical Chemistry Vol.4 No.2，May 24, 2013

DOI: 10.4236/jbpc.2013.42007 4,042 Downloads 7,576 Views Citations
Evaluation of Best Management Practices in Millsboro Pond Watershed Using Soil and Water Assessment Tool (SWAT) Model (Articles)

Aditya Sood, William F. Ritter

Journal of Water Resource and Protection Vol.2 No.5，May 27, 2010

DOI: 10.4236/jwarp.2010.25047 6,623 Downloads 12,011 Views Citations
Modelling of Internal Stresses in Sheet Glass during the Cooling (Articles)

Saci Benbahouche, Fouad Roumili, Jean-Christophe Sangleboeuf

World Journal of Nano Science and Engineering Vol.1 No.2，June 29, 2011

DOI: 10.4236/wjnse.2011.12004 6,700 Downloads 12,355 Views Citations
The Static Characteristic Loop and the External Demagnetizing Factor (Articles)

J. Takacs, Gy. Kovacs, L. K. Varga

Materials Sciences and Applications Vol.3 No.10，October 19, 2012

DOI: 10.4236/msa.2012.310100 4,874 Downloads 7,407 Views Citations
What impact would an HIV/AIDS vaccine have on the HIV/AIDS epidemic in Kenya? (Articles)

Omu Anzala, Gaudensia Nzembi Mutua, Fredrick Jack Odia Oyugi, Bashir Farah Mohamed, Thomas Achia, John Stover

Open Journal of Immunology Vol.2 No.4，December 31, 2012

DOI: 10.4236/oji.2012.24023 4,244 Downloads 7,289 Views Citations
Modeling and Analysis of SO₂ Emissions under Fast Fluidized Bed Conditions Using One Dimensional Model (Articles)

Khurram Shahzad, Mahmood Saleem, Moinuddin Ghauri, Waqar Ali Khan, Niaz Ahmed Akhtar

Advances in Chemical Engineering and Science Vol.4 No.3，July 6, 2014

DOI: 10.4236/aces.2014.43036 2,940 Downloads 4,212 Views Citations
Approaches for Detailed Modelling of Ultra-Precision Positioning Systems (Articles)

Dominik Dahlmann, Nesrine Sassi, Berend Denkena

Modern Mechanical Engineering Vol.6 No.1，February 29, 2016

DOI: 10.4236/mme.2016.61005 2,978 Downloads 4,454 Views Citations
Mechanism of Social Reproduction of the Culture Futsal: Modelling of the Universals of Futsal and Sense of the Rules of the Game: Analysis of Shooting at the European Cup Matches (Articles)

Nejah Kacem, Ayman Guemri, Chokri Naffeti, Ali Elloumi

Advances in Physical Education Vol.6 No.2，May 6, 2016

DOI: 10.4236/ape.2016.62007 2,511 Downloads 3,615 Views Citations
Using Gravity Data to Highlight Tectonic Faults with Filtering Techniques and Modelling at the Congo Craton-Pan-African Belt Contact, East Cameroon (Articles)

Owono Amougou Olivier Ulrich Igor, Ngoumou Paul Claude, Mono Jean Aimé, Ngoa Embeng Steve, Bidichael Wahile, Gouet Daniel Hervé, Ndougsa Mbarga Theophile

International Journal of Geosciences Vol.15 No.12，December 27, 2024

DOI: 10.4236/ijg.2024.1512057 61 Downloads 316 Views Citations
Structural analyses of the interactions of SoxY and SoxZ from thermo-neutrophilic Hydrogenobacter thermophilus (Articles)

Angshuman Bagchi, Tapash Chandra Ghosh

Journal of Biophysical Chemistry Vol.2 No.4，November 9, 2011

DOI: 10.4236/jbpc.2011.24047 4,534 Downloads 7,814 Views Citations

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