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ChemRN: Computational Chemistry (Topic)

451 Total downloads

Viewing: 1 - 20 of 20 papers

1.

Computational Investigations on Structural and Functional Impact of SNP in Parkinson’s Disease Associated With Human Monoamine Oxidase-B (Mao-B)

Number of pages: 17 Posted: 30 Apr 2019
Working Paper Series
Department of Chemistry,NSS Hindu College, Department of Biotechnology,SCT college of Engineering, Department of Biotechnology,Kamaraj College of Engineering and Technology and Department of Chemistry,Sree Narayana College
Downloads 117
2.

Computational Intelligence Tools to Study Molecular Interactions for Drug Design

Proceedings of International Conference on Sustainable Computing in Science, Technology and Management (SUSCOM), Amity University Rajasthan, Jaipur - India, February 26-28, 2019
Number of pages: 7 Posted: 14 Jun 2019 Last Revised: 14 Jun 2019
Working Paper Series
Thapar Institute of Engineering and Technology, Thapar Institute of Engineering & Technology and Thapar Institute of Engineering & Technology
Downloads 105
3.

Unraveling the Efficiency of Heteroatom-Doped Graphene Quantum Dots Incorporated Mof-Derived Bimetallic Layered Double Hydroxide Towards Oxygen Evolution Reaction

Number of pages: 39 Posted: 16 Feb 2022
Working Paper Series
National Taiwan University of Science and Technology, National Taiwan University of Science and Technology, National Taiwan University of Science and Technology, National Taiwan University of Science and Technology, National Taiwan University of Science and Technology, National Taiwan University of Science and Technology, National Synchrotron Radiation Research Center, National Taiwan University of Science and Technology, National Taiwan University of Science and Technology and National Taiwan University of Science and Technology
Downloads 44
4.

Tailoring Electrochemical Co2 Reduction Via Substrate-Induced Gas Diffusion

Number of pages: 16 Posted: 13 Apr 2022
Working Paper Series
Korea Institute of Science and Technology, Korea Institute of Science and Technology, Seoul National University, Korea Institute of Science and Technology, Korea Institute of Science and Technology, Seoul National University, Korea Institute of Science and Technology, Korea Institute of Science and Technology, Korea Institute of Science and Technology (KIST) - Clean Energy Research Center, Korea Institute of Science and Technology and Korea Institute of Science and Technology
Downloads 41
5.

Echem++ — an Object Oriented Problem Solving Environment for Electrochemistry. Part 1. A C++ Class Collection for Electrochemical Excitation Functions

Science Direct Working Paper No S1574-0331(04)70142-3
Number of pages: 32 Posted: 06 Jun 2017 Last Revised: 06 Jan 2018
Working Paper Series
University of Tuebingen - Department of Organic Chemistry, University of Tuebingen - Department of Organic Chemistry and University of Tuebingen - Department of Organic Chemistry
Downloads 24
6.

Effect of Electrochemical and Mechanical Properties of Sei on Dendritic Growth During Lithium Deposition on Lithium Metal Electrode

Number of pages: 33 Posted: 23 Mar 2022
Working Paper Series
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 19
7.

Transition Metal Atoms Anchored on Square Graphyne as Multifunctional Electrocatalysts: A Computational Investigation

Number of pages: 21 Posted: 24 Jun 2022
Working Paper Series
Harbin Normal University, Harbin Normal University, Harbin Normal University and Harbin Normal University
Downloads 16
8.

Numerical Techniques for Solution of Two-Dimensional Laplace Equation in Electrostatics System

Proceedings of the 3rd International Conference on Contents, Computing & Communication (ICCCC-2022)
Number of pages: 9 Posted: 02 Mar 2022
Working Paper Series
K.C.College of Engineering and Management Studies and Research - Humanities and Applied Sciences and Matoshri College of Engineering and Research Centre, Nashik
Downloads 14
9.

Analysis of Mathematical Techniques for the Calculation of the Electrostatic Field in a Dielectric-Loaded Waveguide

PhotonIcs & Electromagnetics Research Symposium, Forthcoming
Number of pages: 6 Posted: 30 Oct 2019
Working Paper Series
Miguel Hernandez University, Universidad Miguel Hernández de Elche, Universidad Miguel Hernández de Elche and University of Seville
Downloads 11
10.

Analysis of the Influence of Load Inductance on Nonlinear Distortions of a Class D Amplifier Caused by 'Dead Time'

Electrical Engineering & Electromechanics 2021, (3), 32–37. https://doi.org/10.20998/2074-272X.2021.3.05
Number of pages: 6 Posted: 20 Jul 2021
Accepted Paper Series
National Technical University of Ukraine «Igor Sikorsky Kyiv Polytechnic Institute», National Technical University of Ukraine «Igor Sikorsky Kyiv Polytechnic Institute», National Technical University of Ukraine «Igor Sikorsky Kyiv Polytechnic Institute», National Technical University of Ukraine «Igor Sikorsky Kyiv Polytechnic Institute», National Technical University of Ukraine «Igor Sikorsky Kyiv Polytechnic Institute» and National Technical University of Ukraine «Igor Sikorsky Kyiv Polytechnic Institute»
Downloads 9
11.

The Structural Basis of the Farnesylated and Methylated KRas4B Interaction with Calmodulin

Number of pages: 59 Posted: 11 Jul 2019
Working Paper Series
National Cancer Institute - Computational Structural Biology Section, University of Illinois at Chicago, Northeastern University, Northeastern University, Northeastern University - Department of Chemistry and Chemical Biology, University of Illinois at Chicago and National Institutes of Health (NIH) - National Cancer Institute at Frederick
Downloads 9
12.

Nitrogen Implantation to Graphene Oxides. A Radio Frequency Plasma Treatment and Computational Approach – Implications for Electrocatalytic Application

Number of pages: 27 Posted: 09 Dec 2021
Working Paper Series
affiliation not provided to SSRN, Budapest University of Technology and Economics, affiliation not provided to SSRN, affiliation not provided to SSRN, Budapest University of Technology and Economics, Eötvös Loránd Research Network - Research Centre for Natural Sciences and affiliation not provided to SSRN
Downloads 8
13.

Electrochemical Kinetics of Cr(Iii) Ion Reduction Processes in Chcl-Based Deep Eutectic Solvents

Number of pages: 21 Posted: 16 Feb 2022
Working Paper Series
Shenyang Ligong University, Shenyang Ligong University, Shenyang Ligong University, Shenyang Ligong University and Shenyang Ligong University
Downloads 7
14.

On Approach of Estimation Time Scales of Relaxation of Concentration of Charge Carriers in High-Doped Semiconductor

International Journal of Information Technology, Modeling and Computing (IJITMC) Vol. 4, No.3, August 2016
Number of pages: 9 Posted: 13 Jun 2019
Working Paper Series
Nizhny Novgorod State University and Nizhny Novgorod State University
Downloads 7
15.

Theoretical Study on Several Important Decomposition Paths of Fox-7 and its Derivatives

Number of pages: 16 Posted: 07 Jul 2022
Working Paper Series
affiliation not provided to SSRN, affiliation not provided to SSRN, Dalian Maritime University and Shenyang University of Chemical Technology
Downloads 6
16.

Precise Prediction of Open Circuit Voltage of Lithium Ion Batteries in a Short Time Period

Number of pages: 32 Posted: 01 Aug 2022
Working Paper Series
National Taiwan University, National Taiwan University, National Taiwan University and National Taiwan University
Downloads 5
17.

Increasing the Efficiency of Multy-Variant Calculations of Electromagnetic Field Distribution in Matrix of a Polygradient Separator

EUREKA: Physics and Engineering 2021, (5), 69–79. doi: https://doi.org/10.21303/2461-4262.2021.001713
Number of pages: 11 Posted: 27 Oct 2021
Accepted Paper Series
Al-Furat Al-Awsat Technical University – Al-Musssaib Technical College, Kyiv National University of Technologies and Design, Kyiv National University of Technologies and Design, Volodymyr Dahl East Ukrainian National University and Volodymyr Dahl East Ukrainian National University
Downloads 4
18.

Conjugated Donor-Acceptor Chromophores in Solution: Non-Linearity at Work

Science Direct Working Paper No S1574-0331(04)70118-6
Number of pages: 5 Posted: 24 May 2017 Last Revised: 02 Dec 2017
Working Paper Series
University of Parma - General Inorganic Chemistry Department, Analytical and Physical Chemistry and University of Parma - General Inorganic Chemistry Department, Analytical and Physical Chemistry
Downloads 3
19.

A Machine Learning Method for Material Property Prediction: Example Polymer Compatibility

Number of pages: 15 Posted: 02 Mar 2022
Working Paper Series
Tsinghua University - Institute for Artificial Intelligence, Tsinghua University - Key Laboratory of Organic Optoelectronics & Molecular Engineering, Tsinghua University - Key Laboratory of Organic Optoelectronics & Molecular Engineering, Tsinghua University - Institute for Artificial Intelligence, Tsinghua University - Key Laboratory of Organic Optoelectronics & Molecular Engineering of Ministry of Education and Tsinghua University - Institute for Artificial Intelligence
Downloads 2
20.

Simulation of Surface Sensing Behavior of Pt Doped SnO2 (110) with CO

The IUP Journal of Electrical & Electronics Engineering, Vol. XI, No. 2, April 2018, pp. 41-52
Posted: 04 Nov 2018
Accepted Paper Series
IKG Punjab Technical University, Kurukshetra University and CGC Technical Campus