Ab Initio Calculations - Articles - Scientific Research Publishing

Theoretical Calculation of the Low-Lying Electronic States of the Molecule ScSe (Articles)

Rawad Halabi, Mahmoud Korek

Journal of Modern Physics Vol.6 No.15, December 31, 2015

DOI: 10.4236/jmp.2015.615233 2,516 Downloads 3,455 Views Citations
Ab Initio Calculation of the Electronic States of ScTe Molecule below 19,500 cm^-1 (Articles)

Rawad Halabi, Mahmoud Korek

Journal of Modern Physics Vol.7 No.1, January 22, 2016

DOI: 10.4236/jmp.2016.71010 2,912 Downloads 3,962 Views Citations
Viral Hepatitis B during Chronic Inflammatory Bowel Diseases at Fez University Hospital: Prevalence and Risk Factors (Articles)

H. Abid, H. Meyiz, O. Laalaj, I. Mellouki, M. El Yousfi, N. Aqodad, D. Benajeh, A. Ibrahimi, M. El Abkari

Open Journal of Gastroenterology Vol.8 No.1, January 31, 2018

DOI: 10.4236/ojgas.2018.81002 1,233 Downloads 2,763 Views Citations
Theoretical Investigations on the π-π Stacking Interactions in Phenol-Water Complexes (Articles)

Shruti Sharma, Mrinal J Bezbaruah, Ibrahim Ali, Mahasweta Choudhury, Bipul Bezbaruah

Computational Chemistry Vol.6 No.2, April 30, 2018

DOI: 10.4236/cc.2018.62002 1,409 Downloads 4,445 Views Citations
A Simple Method for Direct Detection and Discrimination of A. baumannii in Tracheal Aspirates without Culture Isolation (Articles)

Cheguri H. Swathi, Sudhaharan Sukanya, Vemu Lakshmi, Kamaraju Saipriya, Venkataraman Sritharan

Advances in Infectious Diseases Vol.10 No.2, June 18, 2020

DOI: 10.4236/aid.2020.102012 736 Downloads 1,899 Views Citations
Anatomopathological and Seroepidemiological Surveys of Avian Pseudo-Plague (Newcastle Disease) and Its Socioeconomic Impact on Family Poultry Sector in Abéché, Ouaddaï Province, Eastern Chad (Articles)

Oumar Bada Algom, Issa Youssouf Adoum, Abdel-Aziz Izzedine Arada, Mahamat Abdoulaye Bechir

Open Journal of Veterinary Medicine Vol.15 No.10, October 29, 2025

DOI: 10.4236/ojvm.2025.1510017 56 Downloads 279 Views Citations
Modified atomic orbital theory applied to the calculation of high-lying ₂(K,T)_n^±1,3P° rydberg series of he-like ions (Articles)

Ibrahima Sakho

Natural Science Vol.4 No.1, December 31, 2011

DOI: 10.4236/ns.2012.41011 4,761 Downloads 8,371 Views Citations
In silico Study on Sulfated and Non-Sulfated Carbohydrate Chains from Proteoglycans in Cnidaria and Interaction with Collagen (Articles)

Thomas Eckert, Sabine Stötzel, Monika Burg-Roderfeld, Judith Sewing, Thomas Lütteke, Nikolay E. Nifantiev, Johannes F. G. Vliegenthart, Hans-Christian Siebert

Open Journal of Physical Chemistry Vol.2 No.2, May 22, 2012

DOI: 10.4236/ojpc.2012.22017 5,030 Downloads 9,510 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 6,957 Downloads 17,694 Views Citations
Melting of Argon Cluster: Dependence of Caloric Curves on MD Simulation Parameters (Articles)

Mohamed Tabti, Adil Eddahbi, Said Ouaskit, Lahcen Elarroum

World Journal of Condensed Matter Physics Vol.2 No.3, August 31, 2012

DOI: 10.4236/wjcmp.2012.23023 4,093 Downloads 7,526 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 5,119 Downloads 9,553 Views Citations
An Adjusted Model for Simple 1,2-Dyotropic Reactions. Ab Initio MO and VB Considerations (Articles)

Henk M. Buck

Open Journal of Physical Chemistry Vol.3 No.3, August 6, 2013

DOI: 10.4236/ojpc.2013.33015 3,395 Downloads 6,229 Views Citations
Construction of Periodic Solutions of One Class Nonautonomous Systems of Differential Equations (Articles)

Alexander N. Pchelintsev

Journal of Applied Mathematics and Physics Vol.1 No.3, August 23, 2013

DOI: 10.4236/jamp.2013.13001 4,104 Downloads 8,880 Views Citations
Estimation of the Temperature in the Weld Penetration Channel in Electron Beam Welding (Articles)

D. N. Trushnikov, E. S. Salomatova, V. Ya. Belenkiy

Journal of Power and Energy Engineering Vol.1 No.7, November 28, 2013

DOI: 10.4236/jpee.2013.17009 3,696 Downloads 6,197 Views Citations
Synthesis, Spectroscopic Investigations, Quantum Chemical Studies (Ab-initio & DFT) and Antimicrobial Activities of 3-(3-Chloro-4,5-dimethoxy-phenyl)-1-(4, 5-dimethoxy-2-methyl-Phenyl) prop-2-en-1-one (Articles)

Urmila H. Patel, Sahaj A. Gandhi, Vijay M. Barot, Mitesh C. Patel

Crystal Structure Theory and Applications Vol.2 No.4, December 24, 2013

DOI: 10.4236/csta.2013.24023 5,420 Downloads 9,430 Views Citations
Theoretical Study of the Structure and Vibrational Spectrum of [Zn(2-Aminothiazole)₂Cl₂] (Articles)

Rumyana Yankova

Open Access Library Journal Vol.2 No.9, September 10, 2015

DOI: 10.4236/oalib.1101864 738 Downloads 1,568 Views Citations
[Azo-Hyd] Tautomerism and Structure of Selected Metal Complex Dyes AM1 and ZINDO/1 Methods (Articles)

Krzysztof Wojciechowski, Lucjan Szuster

Computational Chemistry Vol.4 No.4, October 19, 2016

DOI: 10.4236/cc.2016.44010 2,406 Downloads 4,696 Views Citations
Reactivity of N-Methylidenemalonates of 3-Arylaminoindoles and p-Dimethylamino-N-Phenylaniline in the Course of Their Analysis by Electrospray Ionization Mass Spectrometry (Articles)

Yuri S. Nekrasov, Nikolai S. Ikonnikov, Yuri A. Borisov, Sergey S. Kiselev, Albert G. Kornienko, Valeriya S. Velezheva, Yury I. Lyakhovetsky

International Journal of Analytical Mass Spectrometry and Chromatography Vol.5 No.1, February 13, 2017

DOI: 10.4236/ijamsc.2017.51001 2,142 Downloads 3,873 Views Citations
Theoretical and Experimental Study of Reaction of Transesterification of Vegetable Oils in an Alcohol Environment in the SbCF and SCF Conditions with the Ultrasonic Emulsification of Reaction Mixture and the Use of Heterogeneous Catalysts (Articles)

Farid Mukhamedovich Gumerov, Rustem Aituganovich Usmanov, Sergei Valerevich Mazanov, Asiya Radifovna Gabitova, Alexandre Ivanovich Kourdiyukov, Zufar Ibragimovich Zaripov

International Journal of Analytical Mass Spectrometry and Chromatography Vol.5 No.2, June 30, 2017

DOI: 10.4236/ijamsc.2017.52003 1,416 Downloads 2,803 Views Citations
This article belongs to the Special Issue on Supercritical Fluids: Supercritical Fluid Extraction (SFE) and Supercritical Fluid Chromatography (SFC)
Gas Phase Activation of Methane Molecule with Lead Benzene Dication Complex Ion, [Pb(Benzene)₂]²⁺ (Articles)

Joseph K. Koka

Materials Sciences and Applications Vol.10 No.2, January 29, 2019

DOI: 10.4236/msa.2019.102009 854 Downloads 1,742 Views Citations

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