DFT Natural Bond Orbitals - Articles - Scientific Research Publishing

Phytochemicals of Aloe barbadensis miller as Potential Inhibitors of Uropathogenic Escherichia coli for Urinary Tract Infection Therapy: An in Silico Approach (Articles)

Mikidadi Salehe Gurisha, Pulapa Venkata Kanaka Rao, Laxmikanth Cherupally

Open Journal of Biophysics Vol.14 No.2, February 7, 2024

DOI: 10.4236/ojbiphy.2024.142006 333 Downloads 1,232 Views Citations
The Mysterius Fate of Stars (Past, Present and Future of the Universe) (Articles)

Gianni Donati

Journal of Applied Mathematics and Physics Vol.12 No.4, April 29, 2024

DOI: 10.4236/jamp.2024.124080 217 Downloads 610 Views Citations
Toward Integrated Active Management Based on SBDA (Articles)

Koichi Miyazaki, Kazuhiro Shimada

Journal of Mathematical Finance Vol.14 No.2, May 15, 2024

DOI: 10.4236/jmf.2024.142010 117 Downloads 583 Views Citations
The Main Determinants of Green Bond Issuance: A Systematic Review (Articles)

Aysha Rashed Al Hamrani, Noorah Rashed Al Hamrani

Open Journal of Accounting Vol.14 No.1, December 18, 2024

DOI: 10.4236/ojacct.2025.141004 376 Downloads 2,782 Views Citations
Term Structure of Defaultable Bonds with Recovery of Market Value (Articles)

Ruidong Wang, Xiyue Tan, Jianping Fu

Journal of Mathematical Finance Vol.15 No.3, August 8, 2025

DOI: 10.4236/jmf.2025.153022 90 Downloads 474 Views Citations
Efficient Frontiers and Volatility Spreads of Convertible Bonds: Evidence from the Chinese Financial Market (Articles)

Yutong Wu

Modern Economy Vol.16 No.8, August 15, 2025

DOI: 10.4236/me.2025.168058 81 Downloads 622 Views Citations
Applied Investment Research and the CRSP Stock Market Database: Celebrating 60 Years of Financial Research (Articles)

John B. Guerard Jr., Dimitrios Thomakos, Foteini Kyriazi, Bijan Beheshti

Journal of Mathematical Finance Vol.15 No.3, August 25, 2025

DOI: 10.4236/jmf.2025.153026 89 Downloads 558 Views Citations
Brazilian ssm-FLNG Offshore, a Conceptual Solution of a System as a New Frontier of National Production and Technological Innovations (Articles)

Lauron Arend, Daniel Prata Vieira, Fernando Cörner da Costa, Edmilson Moutinho dos Santos, Alberto Fossa, Mateus Castagnet, Thiago Roviello, Xuefeng Hu, Junkai Feng

World Journal of Engineering and Technology Vol.13 No.4, November 5, 2025

DOI: 10.4236/wjet.2025.134056 61 Downloads 503 Views Citations
New oxorhenium (V) complex with an imidazol [NN] /hydantoin [SN] mixed ligand system, and radiochemical behavior of its oxotechnetium (V) complex analog (Articles)

N. S. Al-Hokbany, R. M. Mahfouz, I. J. Al-Jammaz

Journal of Biophysical Chemistry Vol.2 No.2, June 1, 2011

DOI: 10.4236/jbpc.2011.22012 4,887 Downloads 9,322 Views Citations
Spectroscopic investigation and density functional theory calculations of mercaptobenzothiazole and mercaptobenzimidazole ligands and their rhenium complexes (Articles)

Noura AlHokbany, Ibrahim AlJammaz

Open Journal of Inorganic Chemistry Vol.1 No.2, July 29, 2011

DOI: 10.4236/ojic.2011.12004 5,774 Downloads 12,756 Views Citations
Surface Photografting of Novel Sulfobetaine Copolymers on Silica (Articles)

Abhishek Kumar, Nazia Tarannum, Meenakshi Singh

Materials Sciences and Applications Vol.3 No.7, July 19, 2012

DOI: 10.4236/msa.2012.37066 5,094 Downloads 8,012 Views Citations
Computational Performances of OFDM Using Different FFT Algorithms (Articles)

Anwarul Azim

International Journal of Communications, Network and System Sciences Vol.6 No.7, July 16, 2013

DOI: 10.4236/ijcns.2013.67037 5,355 Downloads 8,224 Views Citations
Photophysical, Electrochemical and Photovoltaic Properties of Porphyrin-Based Dye Sensitized Solar Cell (Articles)

William Ghann, Tulio Chavez-Gil, Carentxa I. Goede, Hyeonggon Kang, Shamsuddin Khan, Hany Sobhi, Fred Nesbitt, Jamal Uddin

Advances in Materials Physics and Chemistry Vol.7 No.5, May 17, 2017

DOI: 10.4236/ampc.2017.75013 2,673 Downloads 6,380 Views Citations
Investigation of Structural and Electronic Properties of [Tris(Benzene-1,2-Dithiolato)M]^3- (M = V, Cr, Mn, Fe and Co) Complexes: A Spectroscopic and Density Functional Theoretical Study (Articles)

Mohammad A. Matin, Md. Abdur Rahman

Advances in Chemical Engineering and Science Vol.9 No.4, October 9, 2019

DOI: 10.4236/aces.2019.94023 871 Downloads 2,818 Views Citations
Redshift of Excitation Wavelength Caused by the Concentration of L-Tryptophan in Water: A Theoretical and Experimental Study (Articles)

Diana Milena Uriza-Prias, Antonio Méndez-Blas, Juan Francisco Rivas-Silva

Open Journal of Physical Chemistry Vol.11 No.2, May 26, 2021

DOI: 10.4236/ojpc.2021.112005 554 Downloads 2,858 Views Citations
Adaptive Artificial Neural Network (ADALINE) Dynamic Phase Error Estimation Based on the Average Correlation Coefficient (Articles)

Gabriel Musonda, Charles Lubobya, Ackim Zulu

World Journal of Engineering and Technology Vol.13 No.3, July 3, 2025

DOI: 10.4236/wjet.2025.133028 80 Downloads 467 Views Citations
In Vitro Antischistosomal Potentials of 1-(quinolin-2-yl)-N-(quinolin-8-yl)methanimine, 2-((quinolin-8-ylimino)methyl)quinolin-8-ol and N-(pyridin-2-ylmethyl)-1-(quinolin-2-yl)methanimine] Heteroaryl Schiff Bases and Their Zn(II) Complexes: Synthesis, Characterisation, Density Functional Theory Studies, Molecular Docking and in Silico Pharmacokinetics Properties (Articles)

Celine Kekwi Ngwang, Mireille Sylviane Dongmo Nguepi, Jean Hubert Nono, Marius Belmondo Tincho, Mirabel Akongwi, Domiriane Ornela Madjougne Foudjo, Darline Dize, Diana Sandra Wendji Monkam, David Woutouoba Ntieche, Alvine Kengne, Felicite Majoumo-Mbe

Open Journal of Inorganic Chemistry Vol.16 No.2, April 14, 2026

DOI: 10.4236/ojic.2026.162002 41 Downloads 206 Views Citations
The Zigzag Progression of Melting and Triple Point Properties of n-Alkanes, n-Alcohols, n-Alkanoic Amines and n-Alkanoic Acids (Articles)

Boris Sedunov, Ilia Brondz

Voice of the Publisher Vol.3 No.1, March 31, 2017

DOI: 10.4236/vp.2017.31001 1,689 Downloads 3,589 Views Citations
SO₄^2-/SnO₂-Catalyzed C3-alkylation of 4-hydroxycoumarin with secondary benzyl alcohols and O-alkylation with O-acetyl compounds (Articles)

Venugopalarao Narayana, Ravi Varala, Pudukulathan Zubaidha

International Journal of Organic Chemistry Vol.2 No.3A, October 3, 2012

DOI: 10.4236/ijoc.2012.223039 5,247 Downloads 10,441 Views Citations
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Crystal Structure and Solution Structural Dynamic Feature of 1,8-Dibenzoyl-2,7-Dimethoxynaphthalene (Articles)

Akiko Okamoto, Shoji Watanabe, Kosuke Nakaema, Noriyuki Yonezawa

Crystal Structure Theory and Applications Vol.1 No.3, December 31, 2012

DOI: 10.4236/csta.2012.13022 4,089 Downloads 7,484 Views Citations

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