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ChemRN: Other Computational & Theoretical Chemistry (Topic)

256 Total downloads

Viewing: 1 - 18 of 18 papers

1.

Elementary Structure of Matter Can Be Studied with New Quantum Computers

American Journal of Engineering and Applied Sciences, Volume 11, Issue 2, Pages 1062-1075
Number of pages: 14 Posted: 27 Jul 2018
Accepted Paper Series
Bucharest University, Facutly of Law, Students and Polytechnic University of Bucharest - ARoTMM-IFToMM
Downloads 110
2.

Information-Driven Modelling of Antibody-Antigen Complexes

Number of pages: 39 Posted: 01 Apr 2019
Working Paper Series
University of Rome I - Department of Physics, Utrecht University - Computational Structural Biology Group, Utrecht University - Computational Structural Biology Group and Utrecht University - Computational Structural Biology Group
Downloads 32
3.

Machine Learning-Based Prediction Models for Formation Energies of Interstitial Atoms in HCP Crystals

Number of pages: 21 Posted: 22 Nov 2019
Working Paper Series
Sungkyunkwan University - School of Mechanical Engineering, Sungkyunkwan University - School of Mechanical Engineering, Kyungpook National University - Department of Physics Education, Yonsei University - Department of Mechanical Engineering, Yonsei University - Department of Computational Science and Engineering and Sungkyunkwan University - School of Mechanical Engineering
Downloads 26
4.

Semi-Supervised Learning Approaches to Class Assignment in Ambiguous Microstructures

Number of pages: 26 Posted: 10 Dec 2019
Working Paper Series
Texas A&M University - Department of Materials Science and Engineering, Texas A&M University - Department of Materials Science and Engineering, Texas A&M University - Department of Electrical Engineering, Texas A&M University - Department of Electrical Engineering and Texas A&M University - Department of Materials Science and Engineering
Downloads 18
5.

Application of Molecular Modeling Study in Discovery of Various Types of Novel Lead Compounds

Number of pages: 6 Posted: 09 May 2020
Working Paper Series
Swami Vivekanand Subharti University, Meerut, India and Swami Vivekanand Subharti University, Meerut, India
Downloads 14
6.

Does Using Multi-Dimensional Energy-Momentum Equation Change the Kinetic Energy Formula?

Number of pages: 8 Posted: 21 Jul 2020 Last Revised: 11 Aug 2020
Working Paper Series
Islamic Azad University (IAU) - Karaj Branch, Islamic Azad University (IAU) - Karaj Branch and affiliation not provided to SSRN
Downloads 11
7.

Mathematical Modelling for Evaluation of Multi-Stage Flash Evaporator for Concentrating Na2SO4, H2SO4, ZnSO4 and H2O Mixture

Number of pages: 13 Posted: 24 Aug 2020
Working Paper Series
University of Petroleum and Energy Studies (UPES) and GRASIM Industries (Aditya Birla Group)
Downloads 8
8.

Reality in a Few Thermodynamic Reference Frames: Statistical Thermodynamics From Boltzmann via Gibbs to Einstein

Number of pages: 14 Posted: 16 Jul 2020
Working Paper Series
Institute of Philosophy and Sociology - Bulgarian Academy of Sciences
Downloads 8
9.

Informatics as a Branch in Indian Academics with Case of Private Universities: Emphasizing Biological Information Sciences

Current Trends in Biotechnology and Chemical Research, 7(1-2), 37-42. ISSN 2249-4073
Number of pages: 6 Posted: 06 Mar 2018
Accepted Paper Series
Raiganj University and Srinivas University
Downloads 7
10.

Aromatic Hydrocarbons, Diamonds, and Fullerenes in Interstellar Space: Puzzles to Be Solved by Laboratory and Theoretical Astrochemistry

Science Direct Working Paper No S1574-0331(04)70507-X
Number of pages: 33 Posted: 24 May 2017 Last Revised: 23 Dec 2017
Working Paper Series
Ohio State University (OSU) - Astronomy Department
Downloads 6
11.

Mechanistic Modeling of Biochemical Systems Without a Priori Parameter Values Using the Design Space Toolbox v.3.0

Number of pages: 55 Posted: 27 Feb 2020
Working Paper Series
University of California, Davis - Department of Microbiology & Molecular Genetics, VSP Global, Agilent Technologies and University of California, Davis - Department of Biomedical Engineering
Downloads 6
12.

Activity-Dependent Model of Axonal Targeting in the Developing Olfactory Bulb Driven by Population Coded Chemosensor Input

Science Direct Working Paper No S1574-034X(04)70272-0
Number of pages: 8 Posted: 05 Jun 2017 Last Revised: 16 Nov 2018
Working Paper Series
University of Leicester - Department of Engineering, Tufts University - Department of Chemistry, Tufts University - Department of Chemistry and University of Leicester - Department of Engineering
Downloads 3
13.

The Semantic Grid and Chemistry: Experiences with CombeChem

Journal of Web Semantics First Look
Number of pages: 22 Posted: 10 Jul 2018
Working Paper Series
University of Southampton - Department of Electronics and Computer Science, University of Southampton - School of Chemistry, University of Southampton - School of Chemistry, University of Southampton - School of Electronics and Computer Science (ECS), University of Southampton - School of Electronics and Computer Science (ECS) and University of Southampton - School of Electronics and Computer Science (ECS)
Downloads 3
14.

Analytical Potential Energy Function Calculation for Ground State Σ of Lacl

Science Direct Working Paper No S1574-0331(04)70819-X
Number of pages: 8 Posted: 23 May 2017 Last Revised: 30 Dec 2017
Working Paper Series
Tsinghua University - Center for Astrophysics and Tsinghua University - Center for Astrophysics
Downloads 2
15.

Knowledge Acquisition for Reconstruction and Identification of Dimensionless Groups by Means of Case Based Reasoning

Number of pages: 4 Posted: 31 Dec 2019
Working Paper Series
University of Piraeus and University of Piraeus
Downloads 1
16.

Problem of the Direct Quantum-Information Transformation of Chemical Substance

Number of pages: 15 Posted: 08 Jul 2020
Working Paper Series
Institute of Philosophy and Sociology - Bulgarian Academy of Sciences
Downloads 1
17.

Insilico Approach for Identification of Novel Inhibitors Against SRNA9 Protein

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 18 Feb 2020
Working Paper Series
Dept. of Chemistry, Nizam College, Osmania University
18.

Lumped Modeling of Carbon Nanotubes for M/NEMS Simulation

Posted: 27 Jul 2017
Working Paper Series
Purdue University and Purdue University