Density Functional Theory DFT - Articles - Scientific Research Publishing

Molecular Structure, Vibrational Assignments and Non-Linear Optical Properties of 4,4’ Dimethylaminocyanobiphenyl (DMACB) by DFT and ab Initio HF Calculations (Articles)

Charef Tabti, Nadia Benhalima

Advances in Materials Physics and Chemistry Vol.5 No.7, July 22, 2015

DOI: 10.4236/ampc.2015.57023 5,715 Downloads 7,482 Views Citations
Theoretical Study of Dibenzothiophene Based Electron Transport Materials (Articles)

Asanga B. Padmaperuma

Advances in Materials Physics and Chemistry Vol.2 No.4, December 31, 2012

DOI: 10.4236/ampc.2012.24033 6,409 Downloads 9,673 Views Citations
DFT and TD-DFT Study of Bis[2-(5-Amino-[1,3,4]-Oxadiazol-2-yl) Phenol](Diaqua)M(II) Complexes [M = Cu, Ni and Zn]: Electronic Structures, Properties and Analyses (Articles)

Nyiang Kennet Nkungli, Julius Numbonui Ghogomu, Ludovid Ngouo Nogheu, Shridhar Ramachandra Gadre

Computational Chemistry Vol.3 No.3, October 28, 2015

DOI: 10.4236/cc.2015.33005 4,562 Downloads 7,406 Views Citations
Molecular Docking and Conceptual DFT-Based Study of Some Potential SARS-CoV-2 Inhibitors (Articles)

Norma Flores-Holguín, Daniel Glossman-Mitnik

Computational Molecular Bioscience Vol.10 No.4, December 31, 2020

DOI: 10.4236/cmb.2020.104008 834 Downloads 2,439 Views Citations
Structural and Electronic Properties of Impurities on Boron Nitride Nanotube (Articles)

Gabrielle P. Soares, Silvete Guerini

Journal of Modern Physics Vol.2 No.8, August 12, 2011

DOI: 10.4236/jmp.2011.28102 7,935 Downloads 14,883 Views Citations
Ab-Initio Structural Study of SrMoO₃ Perovskite (Articles)

Avinash Daga, Smita Sharma

Journal of Modern Physics Vol.3 No.12, December 21, 2012

DOI: 10.4236/jmp.2012.312238 4,785 Downloads 7,552 Views Citations
Effect of Tubular Chiralities and Diameters of Single Carbon Nanotubes on Gas Sensing Behavior: A DFT Analysis (Articles)

A. A. EL-Barbary, Kh. M. Eid, M. A. Kamel, H. M. Osman, G. H. G. H. Ismail

Journal of Surface Engineered Materials and Advanced Technology Vol.4 No.2, April 18, 2014

DOI: 10.4236/jsemat.2014.42010 6,080 Downloads 8,217 Views Citations
On DFT Molecular Simulation for Non-Adaptive Kernel Approximation (Articles)

Maharavo Randrianarivony

Advances in Materials Physics and Chemistry Vol.4 No.6, June 18, 2014

DOI: 10.4236/ampc.2014.46013 2,563 Downloads 3,812 Views Citations
Erratum to “On DFT Molecular Simulation for Non-Adaptive Kernel Approximation” [Advances in Materials Physics and Chemistry Vol. 4 No. 6 (June 2014) 105-115] (Articles)

Maharavo Randrianarivony

Advances in Materials Physics and Chemistry Vol.5 No.3, March 6, 2015

DOI: 10.4236/ampc.2015.53012 1,997 Downloads 3,321 Views Citations
Adsorption of CO, CO₂, NO and NO₂ on Boron Nitride Nanotubes: DFT Study (Articles)

A. A. El-Barbary, Kh. M. Eid, M. A. Kamel, H. O. Taha, G. H. Ismail

Journal of Surface Engineered Materials and Advanced Technology Vol.5 No.3, July 8, 2015

DOI: 10.4236/jsemat.2015.53017 5,073 Downloads 7,005 Views Citations
A Generation Method of Dithering Signal Based on DFT (Articles)

Changqing Ye, Xingzhong Xiong

International Journal of Communications, Network and System Sciences Vol.10 No.8B, August 14, 2017

DOI: 10.4236/ijcns.2017.108B032 1,193 Downloads 3,282 Views Citations
Thermal Decomposition of Diphenyl Tetroxane in Chlorobenzene Solution (Articles)

Alexander G. Bordon, Andrea N. Pila, Mariela I. Profeta, María J. Jorge, Lilian C. Jorge, Jorge M. Romero, Nelly L. Jorge

International Journal of Organic Chemistry Vol.9 No.1, January 14, 2019

DOI: 10.4236/ijoc.2019.91001 1,004 Downloads 2,459 Views Citations
A Stochastic Optimal Control Theory to Model Spontaneous Breathing (Articles)

Kyongyob Min

Applied Mathematics Vol.4 No.11, November 5, 2013

DOI: 10.4236/am.2013.411208 4,297 Downloads 6,540 Views Citations
Electronic Transport in Alloys with Phase Separation (Composites) (Articles)

Joachim Sonntag, Bertrand Lenoir, Pawel Ziolkowski

Open Journal of Composite Materials Vol.9 No.1, January 28, 2019

DOI: 10.4236/ojcm.2019.91002 1,102 Downloads 2,712 Views Citations
On The Gravitational Shielding, Gravitational Permeability and Hidden Matter (Articles)

Toir Makhsudovich Radzhabov

International Journal of Geosciences Vol.13 No.7, July 19, 2022

DOI: 10.4236/ijg.2022.137028 227 Downloads 1,597 Views Citations
Hall Conductivity, Transition-State Theory and Their Effect on Entanglement and the Energy Density (Articles)

Ahlem Abidi

Open Access Library Journal Vol.12 No.7, July 29, 2025

DOI: 10.4236/oalib.1113749 60 Downloads 319 Views Citations
Dismantling Paley’s Watch: Equivocation Regarding the Word “Order” in the Teleological Argument (Articles)

Randall S. Firestone

Open Journal of Philosophy Vol.10 No.1, February 12, 2020

DOI: 10.4236/ojpp.2020.101012 991 Downloads 4,585 Views Citations
Reform of Administrative Examination and Approval Bureau: Practical Difficulties and Solutions (Articles)

Yazhuo Huang

Open Journal of Social Sciences Vol.10 No.3, March 15, 2022

DOI: 10.4236/jss.2022.103013 320 Downloads 1,488 Views Citations
Research on Access Network Intrusion Detection System Based on DMT Technology (Articles)

Lingxi Wu, Jie Zhan, Qiange He, Shuiyan He

International Journal of Communications, Network and System Sciences Vol.3 No.5, May 31, 2010

DOI: 10.4236/ijcns.2010.35064 4,625 Downloads 8,755 Views Citations
Solvatochromism and Molecular Selectivity of C-(4-chlorophenyl)-N-phenylnitrone: A Photophysical Study (Articles)

Sneha Salampuria, Tandrima Chaudhuri, Manas Banerjee

Optics and Photonics Journal Vol.2 No.1, March 28, 2012

DOI: 10.4236/opj.2012.21005 4,533 Downloads 8,516 Views Citations

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