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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
6,503
Downloads
16,280
Views
Citations
A Comparative Study on the Structural and Vibrational Properties of Two Potential Antimicrobial and Anticancer Cyanopyridine Derivatives
(Articles)
María J. Márquez
,
María B. Márquez
,
Pablo G. Cataldo
,
Silvia A. Brandán
Open Journal of Synthesis Theory and Applications
Vol.4 No.1
,January 8, 2015
DOI:
10.4236/ojsta.2015.41001
4,247
Downloads
5,443
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
4,801
Downloads
8,727
Views
Citations
On the Accuracy of the Complete Basis Set Extrapolation for Anionic Systems: A Case Study of the Electron Affinity of Methane
(Articles)
Alejandro Ramírez-Solís
Computational Chemistry
Vol.2 No.2
,April 29, 2014
DOI:
10.4236/cc.2014.22005
6,553
Downloads
10,742
Views
Citations
A Relativistic Density Functional Study of the U
2
F
6
Molecule
(Articles)
Yunguang Zhang
Journal of Modern Physics
Vol.3 No.8
,August 16, 2012
DOI:
10.4236/jmp.2012.38113
3,539
Downloads
5,627
Views
Citations
Synthesis, Crystal Structure and Infrared Characterization of Bis(4-dimethylamino-pyridinium) Tetrachlorocuprate
(Articles)
Mahjouba Ben Nasr
,
Frédéric Lefebvre
,
Chérif Ben Nasr
American Journal of Analytical Chemistry
Vol.6 No.5
,April 13, 2015
DOI:
10.4236/ajac.2015.65044
4,702
Downloads
6,175
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
5,637
Downloads
11,272
Views
Citations
Effect of Molecular Weight and Molecular Distribution on Skin Structure and Shear Strength Distribution near the Surface of Thin-Wall Injection Molded Polypropylene
(Articles)
Keisuke Maeda
,
Koji Yamada
,
Kazushi Yamada
,
Masaya Kotaki
,
Hiroyuki Nishimura
Open Journal of Organic Polymer Materials
Vol.6 No.1
,January 7, 2016
DOI:
10.4236/ojopm.2016.61001
4,207
Downloads
5,380
Views
Citations
Dipole Moments of the Bioactive Constituents Present in Flutab Drug by
Ab-Initio
Calculations
(Articles)
Raghad Alajlani
,
Amal Alssadi
Open Journal of Physical Chemistry
Vol.9 No.4
,November 8, 2019
DOI:
10.4236/ojpc.2019.94013
871
Downloads
2,350
Views
Citations
Quantum-Chemical Description of Influence of the R-Groups on Formation of Peptide Bond
(Articles)
Jumber Kereselidze
,
Marine Kvaraia
,
George Mikuchadze
Computational Molecular Bioscience
Vol.4 No.2
,September 17, 2014
DOI:
10.4236/cmb.2014.42004
3,518
Downloads
4,369
Views
Citations
Spectroscopic Electrochemical Properties and DFT Calculation of 1-Aryltriazenes
(Articles)
Insa Seck
,
Mohamed Lamine Sall
,
Atoumane Ndiaye
,
Samba Fama Ndoye
,
Lalla Aïcha Ba
,
Matar Seck
International Journal of Organic Chemistry
Vol.13 No.4
,December 6, 2023
DOI:
10.4236/ijoc.2023.134009
62
Downloads
253
Views
Citations
Crystal Structure, Thermal Behaviour and Vibrational Spectra of Tetraethylammonium Dihydrogenmonophosphate Bis Phosphoric Acid
(Articles)
Ikram Dhouib
,
Salih Al-Juaid
,
Tahar Mhiri
,
Zakaria Elaoud
Crystal Structure Theory and Applications
Vol.2 No.1
,March 29, 2013
DOI:
10.4236/csta.2013.21002
2,920
Downloads
6,516
Views
Citations
Crystal Structure, Thermal Behavior and Vibrational Spectra of 4,4’Diamoniumdiphenylmethan Sulfate Hydrate
(Articles)
Takoua Ben Issa
,
Latifa Benhamada
Open Journal of Inorganic Chemistry
Vol.7 No.2
,April 30, 2017
DOI:
10.4236/ojic.2017.72004
1,612
Downloads
3,018
Views
Citations
On Cycle Related Graphs with Constant Metric Dimension
(Articles)
Murtaza Ali
,
Gohar Ali
,
Usman Ali
,
M. T. Rahim
Open Journal of Discrete Mathematics
Vol.2 No.1
,January 20, 2012
DOI:
10.4236/ojdm.2012.21005
5,989
Downloads
12,715
Views
Citations
Molecular Structure, Vibrational Analysis and First Order Hyperpolarizability of 4-Methyl-3-Nitrobenzoic Acid Using Density Functional Theory
(Articles)
Jyothi Prashanth
,
Gaddam Ramesh
,
Jarupula Laxman Naik
,
Jai Kishan Ojha
,
Byru Venkatram Reddy
,
Gandham Ramana Rao
Optics and Photonics Journal
Vol.5 No.3
,March 25, 2015
DOI:
10.4236/opj.2015.53008
5,206
Downloads
7,070
Views
Citations
This article belongs to the Special Issue on
Laser Spectroscopy and Sensing
DFT Calculations for Corrosion Inhibition of Ferrous Alloys by Pyrazolopyrimidine Derivatives
(Articles)
Nuha Ahmed Wazzan
,
Fatma Mohamed Mahgoub
Open Journal of Physical Chemistry
Vol.4 No.1
,January 29, 2014
DOI:
10.4236/ojpc.2014.41002
6,082
Downloads
10,662
Views
Citations
Spectroscopic Evaluation of the Molecular Structures of di-μ-Chlorobis(1,5-Cyclooctadiene) Iridium (I) and Rhodium (I) Complexes
(Articles)
Saheed A. Popoola
,
Abdulaziz A. Al-Saadi
Journal of Applied Mathematics and Physics
Vol.3 No.2
,January 30, 2015
DOI:
10.4236/jamp.2015.32021
3,766
Downloads
4,586
Views
Citations
Photochemical Reactions of Microcystin-LR Following Irradiation with UV Light
(Articles)
Yoshihiro Mizukami
Open Journal of Physical Chemistry
Vol.6 No.4
,October 25, 2016
DOI:
10.4236/ojpc.2016.64008
1,773
Downloads
2,888
Views
Citations
Site Selectivity of One Hydroxyl Group Bonded on the Surface of Finite (5, 0) Zigzag Carbon Nanotube
(Articles)
Afshin Abbasi
,
Hossein Mostaanzadeh
,
Reza Safari
,
Ebrahim Honarmand
Computational Chemistry
Vol.5 No.1
,December 6, 2016
DOI:
10.4236/cc.2017.51001
1,536
Downloads
2,546
Views
Citations
First-Principles Investigation of Charge Transfer Mechanism of B-Doped 3C-SiC Semiconductor Material
(Articles)
Abdullahi Alkali Dauda
,
Muhammad Yusuf Onimisi
,
Adeyemi Joshua Owolabi
,
Hameed Adeneyi Lawal
,
Hassan Muhammad Gambo
,
Bashir Mohammed Aliyu
,
Surajo Bala
,
Muhammad Lamido Madugu
,
Muhammad Abdurrahman Nainna
,
Johnson Akinade Bamikole
World Journal of Condensed Matter Physics
Vol.14 No.2
,May 28, 2024
DOI:
10.4236/wjcmp.2024.142004
9
Downloads
37
Views
Citations
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