Quantum Molecular Descriptor - Articles - Scientific Research Publishing

Biological Activity Relationship of Cyclic and Noncyclic Alkanes Using Quantum Molecular Descriptors (Articles)

Ahmad Nazib Alias, Zubainun Mohamed Zabidi, Nurul Aimi Zakaria, Zaidatul Salwa Mahmud, Rosliza Ali

Open Journal of Applied Sciences Vol.11 No.8, August 31, 2021

DOI: 10.4236/ojapps.2021.118070 404 Downloads 1,511 Views Citations
Quantum molecular dynamics simulation formultifragmentation resulting from an expandingnuclear matter (Articles)

Atef Abdel-hafiez, M. A. Khalifa, A. Abd El-Daiem

Natural Science Vol.3 No.7, July 25, 2011

DOI: 10.4236/ns.2011.37082 5,141 Downloads 9,449 Views Citations
Quantum Chemistry Prediction of Molecular Lipophilicity Using Semi-Empirical AM1 and Ab Initio HF/6-311++G Levels (Articles)

Ouanlo Ouattara, Nahossé Ziao

Computational Chemistry Vol.5 No.1, January 19, 2017

DOI: 10.4236/cc.2017.51004 2,156 Downloads 4,045 Views Citations
Quantum Simulation of 2p-π Electronic Hamiltonian in Molecular Ethylene by Using an NMR Quantum Computer (Articles)

Deniz Türkpençe, Azmi Gençten

Journal of Quantum Information Science Vol.3 No.2, June 13, 2013

DOI: 10.4236/jqis.2013.32012 3,760 Downloads 6,799 Views Citations
Molecular Dynamics Study on Mechanical Properties in the Structure of Self-Assembled Quantum Dot (Articles)

Tatsuya Yamaguchi, Ken-ichi Saitoh

World Journal of Nano Science and Engineering Vol.2 No.4, December 14, 2012

DOI: 10.4236/wjnse.2012.24025 5,583 Downloads 8,539 Views Citations
Evaluation of Quantum Chemical Methods and Basis Sets Applied in the Molecular Modeling of Artemisinin (Articles)

Cleydson B. R. dos Santos, Cleison C. Lobato, Josinete B. Vieira, Davi S. B. Brasil, Alaan U. Brito, Williams J. C. Macêdo, José Carlos T. Carvalho, José C. Pinheiro

Computational Molecular Bioscience Vol.3 No.3, September 16, 2013

DOI: 10.4236/cmb.2013.33009 6,697 Downloads 14,634 Views Citations
Application of Hartree-Fock Method for Modeling of Bioactive Molecules Using SAR and QSPR (Review)

Cleydson B. R. Santos, Cleison C. Lobato, Francinaldo S. Braga, Sílvia S. S. Morais, Cesar F. Santos, Caio P. Fernandes, Davi S. B. Brasil, Lorane I. S. Hage-Melim, Williams J. C. Macêdo, José C. T. Carvalho

Computational Molecular Bioscience Vol.4 No.1, March 14, 2014

DOI: 10.4236/cmb.2014.41001 9,473 Downloads 22,022 Views Citations
The Genesis of the Quantum Theory of the Chemical Bond (Articles)

Salvatore Esposito, Adele Naddeo

Advances in Historical Studies Vol.3 No.5, December 23, 2014

DOI: 10.4236/ahs.2014.35020 5,938 Downloads 9,690 Views Citations
Psychiatry: Looking to the Future (Articles)

Massimo Cocchi

Open Journal of Depression Vol.4 No.4, November 24, 2015

DOI: 10.4236/ojd.2015.44007 4,039 Downloads 5,661 Views Citations
Experimental Evaluation of the Performance of Local Shape Descriptors for the Classification of 3D Data in Precision Farming (Articles)

Jennifer Mack, Anatina Trakowski, Florian Rist, Katja Herzog, Reinhard Töpfer, Volker Steinhage

Journal of Computer and Communications Vol.5 No.12, September 30, 2017

DOI: 10.4236/jcc.2017.512001 1,302 Downloads 2,771 Views Citations
Shape Descriptor Based on Curvature (Articles)

Julio-Alejandro Romero-González, Marcela Herrera-Navarro, Hugo Jiménez-Hernández

Open Access Library Journal Vol.9 No.3, March 28, 2022

DOI: 10.4236/oalib.1108422 175 Downloads 1,587 Views Citations
Surprising New Bohr Models for $H_{2}^{}$ and $H_{2}^{+}$ (Articles)

Auguste Meessen

Journal of Modern Physics Vol.15 No.8, July 31, 2024

DOI: 10.4236/jmp.2024.158053 228 Downloads 1,118 Views Citations
Quantum Dynamical Effects in 2-(2-Furyl)-3-Hydroxychromone Using Path Integral Molecular Dynamics (Articles)

Abdallah Brahim Elhadj Ali, Dieudonné Platou Foulla, Yapara Kanabet, Pale Wang-Yang, Daniel Lissouck, Stève-Jonathan Koyambo-Konzapa

Computational Chemistry Vol.14 No.1, November 28, 2025

DOI: 10.4236/cc.2026.141001 72 Downloads 416 Views Citations
Path Integral Molecular Dynamics Simulation on Atomic Distribution in Amorphized Ice Ic (Articles)

Naoka Sato, Kenichi Kinugawa

Natural Science Vol.8 No.11, November 14, 2016

DOI: 10.4236/ns.2016.811048 1,955 Downloads 4,251 Views Citations
Chemical Reactivity Theory (CRT) Study of the Melanoidin M8: Local Conceptual Density Functional Theory Descriptors (Articles)

Juan Frau, Norma Flores-Holguín, Daniel Glossman-Mitnik

Computational Molecular Bioscience Vol.8 No.2, June 7, 2018

DOI: 10.4236/cmb.2018.82004 1,168 Downloads 2,923 Views Citations
Improving Protein Sequence Classification Performance Using Adjacent and Overlapped Segments on Existing Protein Descriptors (Articles)

Mohammad Reza Faisal, Bahriddin Abapihi, Ngoc Giang Nguyen, Bedy Purnama, Mera Kartika Delimayanti, Dau Phan, Favorisen Rosyking Lumbanraja, Mamoru Kubo, Kenji Satou

Journal of Biomedical Science and Engineering Vol.11 No.6, June 29, 2018

DOI: 10.4236/jbise.2018.116012 1,253 Downloads 2,916 Views Citations
Key Incorporation Scheme for Cancelable Biometrics (Articles)

Eliza Yingzi Du, Kai Yang, Zhi Zhou

Journal of Information Security Vol.2 No.4, October 24, 2011

DOI: 10.4236/jis.2011.24018 4,840 Downloads 9,465 Views Citations
Facilitating the Automatic Characterisation, Classification and Description of Biological Images with the VisionBioShape Package for R (Articles)

Biel Stela, Antonio Monleón-Getino

Open Access Library Journal Vol.3 No.10, October 26, 2016

DOI: 10.4236/oalib.1103108 1,037 Downloads 2,505 Views Citations
Shape Retrieval Using ECPDH with Dynamic Programming (Articles)

Xin Shu, Lei Pan, Yunsong Qi

Journal of Computer and Communications Vol.4 No.16, December 29, 2016

DOI: 10.4236/jcc.2016.416005 1,460 Downloads 2,633 Views Citations
OTE-24LD: An Extended Descriptor Integrating Long-Distance Correlations for the Prediction of Macromolecular Interactions (Articles)

Obonan Etienne Traore, Ndiffon Charlemagne Kopoin, Dagou Dangui Augustin Sylvain Legrand Koffi, Gbame Gbede Sylvain, Souleymane Oumtanaga

Open Journal of Applied Sciences Vol.15 No.8, August 18, 2025

DOI: 10.4236/ojapps.2025.158153 82 Downloads 437 Views Citations

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