Subjects -> COMPUTER SCIENCE (Total: 2313 journals)
    - ANIMATION AND SIMULATION (33 journals)
    - ARTIFICIAL INTELLIGENCE (133 journals)
    - AUTOMATION AND ROBOTICS (116 journals)
    - CLOUD COMPUTING AND NETWORKS (75 journals)
    - COMPUTER ARCHITECTURE (11 journals)
    - COMPUTER ENGINEERING (12 journals)
    - COMPUTER GAMES (23 journals)
    - COMPUTER PROGRAMMING (25 journals)
    - COMPUTER SCIENCE (1305 journals)
    - COMPUTER SECURITY (59 journals)
    - DATA BASE MANAGEMENT (21 journals)
    - DATA MINING (50 journals)
    - E-BUSINESS (21 journals)
    - E-LEARNING (30 journals)
    - ELECTRONIC DATA PROCESSING (23 journals)
    - IMAGE AND VIDEO PROCESSING (42 journals)
    - INFORMATION SYSTEMS (109 journals)
    - INTERNET (111 journals)
    - SOCIAL WEB (61 journals)
    - SOFTWARE (43 journals)
    - THEORY OF COMPUTING (10 journals)

COMPUTER SCIENCE (1305 journals)                  1 2 3 4 5 6 7 | Last

Showing 1 - 200 of 872 Journals sorted alphabetically
3D Printing and Additive Manufacturing     Full-text available via subscription   (Followers: 27)
Abakós     Open Access   (Followers: 3)
ACM Computing Surveys     Hybrid Journal   (Followers: 29)
ACM Inroads     Full-text available via subscription   (Followers: 1)
ACM Journal of Computer Documentation     Free   (Followers: 4)
ACM Journal on Computing and Cultural Heritage     Hybrid Journal   (Followers: 5)
ACM Journal on Emerging Technologies in Computing Systems     Hybrid Journal   (Followers: 12)
ACM SIGACCESS Accessibility and Computing     Free   (Followers: 2)
ACM SIGAPP Applied Computing Review     Full-text available via subscription  
ACM SIGBioinformatics Record     Full-text available via subscription  
ACM SIGEVOlution     Full-text available via subscription  
ACM SIGHIT Record     Full-text available via subscription  
ACM SIGHPC Connect     Full-text available via subscription  
ACM SIGITE Newsletter     Open Access   (Followers: 1)
ACM SIGMIS Database: the DATABASE for Advances in Information Systems     Hybrid Journal  
ACM SIGUCCS plugged in     Full-text available via subscription  
ACM SIGWEB Newsletter     Full-text available via subscription   (Followers: 3)
ACM Transactions on Accessible Computing (TACCESS)     Hybrid Journal   (Followers: 3)
ACM Transactions on Algorithms (TALG)     Hybrid Journal   (Followers: 13)
ACM Transactions on Applied Perception (TAP)     Hybrid Journal   (Followers: 3)
ACM Transactions on Architecture and Code Optimization (TACO)     Hybrid Journal   (Followers: 9)
ACM Transactions on Asian and Low-Resource Language Information Processing (TALLIP)     Hybrid Journal  
ACM Transactions on Autonomous and Adaptive Systems (TAAS)     Hybrid Journal   (Followers: 10)
ACM Transactions on Computation Theory (TOCT)     Hybrid Journal   (Followers: 11)
ACM Transactions on Computational Logic (TOCL)     Hybrid Journal   (Followers: 5)
ACM Transactions on Computer Systems (TOCS)     Hybrid Journal   (Followers: 19)
ACM Transactions on Computer-Human Interaction     Hybrid Journal   (Followers: 15)
ACM Transactions on Computing Education (TOCE)     Hybrid Journal   (Followers: 9)
ACM Transactions on Computing for Healthcare     Hybrid Journal  
ACM Transactions on Cyber-Physical Systems (TCPS)     Hybrid Journal   (Followers: 1)
ACM Transactions on Design Automation of Electronic Systems (TODAES)     Hybrid Journal   (Followers: 5)
ACM Transactions on Economics and Computation     Hybrid Journal  
ACM Transactions on Embedded Computing Systems (TECS)     Hybrid Journal   (Followers: 4)
ACM Transactions on Information Systems (TOIS)     Hybrid Journal   (Followers: 18)
ACM Transactions on Intelligent Systems and Technology (TIST)     Hybrid Journal   (Followers: 11)
ACM Transactions on Interactive Intelligent Systems (TiiS)     Hybrid Journal   (Followers: 6)
ACM Transactions on Internet of Things     Hybrid Journal   (Followers: 2)
ACM Transactions on Modeling and Performance Evaluation of Computing Systems (ToMPECS)     Hybrid Journal  
ACM Transactions on Multimedia Computing, Communications, and Applications (TOMCCAP)     Hybrid Journal   (Followers: 10)
ACM Transactions on Parallel Computing     Full-text available via subscription  
ACM Transactions on Reconfigurable Technology and Systems (TRETS)     Hybrid Journal   (Followers: 6)
ACM Transactions on Sensor Networks (TOSN)     Hybrid Journal   (Followers: 9)
ACM Transactions on Social Computing     Hybrid Journal  
ACM Transactions on Spatial Algorithms and Systems (TSAS)     Hybrid Journal   (Followers: 1)
ACM Transactions on Speech and Language Processing (TSLP)     Hybrid Journal   (Followers: 11)
ACM Transactions on Storage     Hybrid Journal  
ACS Applied Materials & Interfaces     Hybrid Journal   (Followers: 41)
Acta Informatica Malaysia     Open Access  
Acta Universitatis Cibiniensis. Technical Series     Open Access   (Followers: 1)
Ad Hoc Networks     Hybrid Journal   (Followers: 12)
Adaptive Behavior     Hybrid Journal   (Followers: 8)
Additive Manufacturing Letters     Open Access   (Followers: 3)
Advanced Engineering Materials     Hybrid Journal   (Followers: 32)
Advanced Science Letters     Full-text available via subscription   (Followers: 9)
Advances in Adaptive Data Analysis     Hybrid Journal   (Followers: 9)
Advances in Artificial Intelligence     Open Access   (Followers: 33)
Advances in Catalysis     Full-text available via subscription   (Followers: 7)
Advances in Computational Mathematics     Hybrid Journal   (Followers: 20)
Advances in Computer Engineering     Open Access   (Followers: 13)
Advances in Computer Science : an International Journal     Open Access   (Followers: 19)
Advances in Computing     Open Access   (Followers: 3)
Advances in Data Analysis and Classification     Hybrid Journal   (Followers: 52)
Advances in Engineering Software     Hybrid Journal   (Followers: 27)
Advances in Geosciences (ADGEO)     Open Access   (Followers: 19)
Advances in Human-Computer Interaction     Open Access   (Followers: 19)
Advances in Image and Video Processing     Open Access   (Followers: 20)
Advances in Materials Science     Open Access   (Followers: 20)
Advances in Multimedia     Open Access   (Followers: 1)
Advances in Operations Research     Open Access   (Followers: 13)
Advances in Remote Sensing     Open Access   (Followers: 59)
Advances in Science and Research (ASR)     Open Access   (Followers: 8)
Advances in Technology Innovation     Open Access   (Followers: 5)
AEU - International Journal of Electronics and Communications     Hybrid Journal   (Followers: 8)
African Journal of Information and Communication     Open Access   (Followers: 6)
African Journal of Mathematics and Computer Science Research     Open Access   (Followers: 5)
AI EDAM     Hybrid Journal   (Followers: 2)
Air, Soil & Water Research     Open Access   (Followers: 6)
AIS Transactions on Human-Computer Interaction     Open Access   (Followers: 5)
Al-Qadisiyah Journal for Computer Science and Mathematics     Open Access   (Followers: 2)
AL-Rafidain Journal of Computer Sciences and Mathematics     Open Access   (Followers: 3)
Algebras and Representation Theory     Hybrid Journal  
Algorithms     Open Access   (Followers: 13)
American Journal of Computational and Applied Mathematics     Open Access   (Followers: 8)
American Journal of Computational Mathematics     Open Access   (Followers: 6)
American Journal of Information Systems     Open Access   (Followers: 4)
American Journal of Sensor Technology     Open Access   (Followers: 2)
Analog Integrated Circuits and Signal Processing     Hybrid Journal   (Followers: 15)
Animation Practice, Process & Production     Hybrid Journal   (Followers: 4)
Annals of Combinatorics     Hybrid Journal   (Followers: 3)
Annals of Data Science     Hybrid Journal   (Followers: 14)
Annals of Mathematics and Artificial Intelligence     Hybrid Journal   (Followers: 16)
Annals of Pure and Applied Logic     Open Access   (Followers: 4)
Annals of Software Engineering     Hybrid Journal   (Followers: 12)
Annual Reviews in Control     Hybrid Journal   (Followers: 7)
Anuario Americanista Europeo     Open Access  
Applicable Algebra in Engineering, Communication and Computing     Hybrid Journal   (Followers: 3)
Applied and Computational Harmonic Analysis     Full-text available via subscription  
Applied Artificial Intelligence: An International Journal     Hybrid Journal   (Followers: 17)
Applied Categorical Structures     Hybrid Journal   (Followers: 4)
Applied Clinical Informatics     Hybrid Journal   (Followers: 4)
Applied Computational Intelligence and Soft Computing     Open Access   (Followers: 16)
Applied Computer Systems     Open Access   (Followers: 6)
Applied Computing and Geosciences     Open Access   (Followers: 3)
Applied Mathematics and Computation     Hybrid Journal   (Followers: 31)
Applied Medical Informatics     Open Access   (Followers: 11)
Applied Numerical Mathematics     Hybrid Journal   (Followers: 4)
Applied Soft Computing     Hybrid Journal   (Followers: 13)
Applied Spatial Analysis and Policy     Hybrid Journal   (Followers: 5)
Applied System Innovation     Open Access   (Followers: 1)
Archive of Applied Mechanics     Hybrid Journal   (Followers: 4)
Archive of Numerical Software     Open Access  
Archives and Museum Informatics     Hybrid Journal   (Followers: 97)
Archives of Computational Methods in Engineering     Hybrid Journal   (Followers: 5)
arq: Architectural Research Quarterly     Hybrid Journal   (Followers: 7)
Array     Open Access   (Followers: 1)
Artifact : Journal of Design Practice     Open Access   (Followers: 8)
Artificial Life     Hybrid Journal   (Followers: 7)
Asian Journal of Computer Science and Information Technology     Open Access   (Followers: 3)
Asian Journal of Control     Hybrid Journal  
Asian Journal of Research in Computer Science     Open Access   (Followers: 4)
Assembly Automation     Hybrid Journal   (Followers: 2)
Automatic Control and Computer Sciences     Hybrid Journal   (Followers: 6)
Automatic Documentation and Mathematical Linguistics     Hybrid Journal   (Followers: 5)
Automatica     Hybrid Journal   (Followers: 13)
Automatika : Journal for Control, Measurement, Electronics, Computing and Communications     Open Access  
Automation in Construction     Hybrid Journal   (Followers: 8)
Balkan Journal of Electrical and Computer Engineering     Open Access  
Basin Research     Hybrid Journal   (Followers: 7)
Behaviour & Information Technology     Hybrid Journal   (Followers: 32)
BenchCouncil Transactions on Benchmarks, Standards, and Evaluations     Open Access   (Followers: 7)
Big Data and Cognitive Computing     Open Access   (Followers: 5)
Big Data Mining and Analytics     Open Access   (Followers: 10)
Biodiversity Information Science and Standards     Open Access   (Followers: 2)
Bioinformatics     Hybrid Journal   (Followers: 226)
Bioinformatics Advances : Journal of the International Society for Computational Biology     Open Access   (Followers: 1)
Biomedical Engineering     Hybrid Journal   (Followers: 11)
Biomedical Engineering and Computational Biology     Open Access   (Followers: 11)
Briefings in Bioinformatics     Hybrid Journal   (Followers: 43)
British Journal of Educational Technology     Hybrid Journal   (Followers: 96)
Bulletin of Taras Shevchenko National University of Kyiv. Series: Physics and Mathematics     Open Access  
c't Magazin fuer Computertechnik     Full-text available via subscription   (Followers: 1)
Cadernos do IME : Série Informática     Open Access  
CALCOLO     Hybrid Journal  
CALICO Journal     Full-text available via subscription   (Followers: 3)
Calphad     Hybrid Journal  
Canadian Journal of Electrical and Computer Engineering     Full-text available via subscription   (Followers: 14)
Catalysis in Industry     Hybrid Journal  
CCF Transactions on High Performance Computing     Hybrid Journal  
CCF Transactions on Pervasive Computing and Interaction     Hybrid Journal  
CEAS Space Journal     Hybrid Journal   (Followers: 6)
Cell Communication and Signaling     Open Access   (Followers: 3)
Central European Journal of Computer Science     Hybrid Journal   (Followers: 5)
CERN IdeaSquare Journal of Experimental Innovation     Open Access  
Chaos, Solitons & Fractals     Hybrid Journal   (Followers: 1)
Chaos, Solitons & Fractals : X     Open Access   (Followers: 1)
Chemometrics and Intelligent Laboratory Systems     Hybrid Journal   (Followers: 13)
ChemSusChem     Hybrid Journal   (Followers: 7)
China Communications     Full-text available via subscription   (Followers: 8)
Chinese Journal of Catalysis     Full-text available via subscription   (Followers: 2)
Chip     Full-text available via subscription   (Followers: 5)
Ciencia     Open Access  
CIN : Computers Informatics Nursing     Hybrid Journal   (Followers: 11)
Circuits and Systems     Open Access   (Followers: 16)
CLEI Electronic Journal     Open Access  
Clin-Alert     Hybrid Journal   (Followers: 1)
Clinical eHealth     Open Access  
Cluster Computing     Hybrid Journal   (Followers: 1)
Cognitive Computation     Hybrid Journal   (Followers: 2)
Cognitive Computation and Systems     Open Access  
COMBINATORICA     Hybrid Journal  
Combinatorics, Probability and Computing     Hybrid Journal   (Followers: 4)
Combustion Theory and Modelling     Hybrid Journal   (Followers: 18)
Communication Methods and Measures     Hybrid Journal   (Followers: 12)
Communication Theory     Hybrid Journal   (Followers: 29)
Communications in Algebra     Hybrid Journal   (Followers: 1)
Communications in Partial Differential Equations     Hybrid Journal   (Followers: 2)
Communications of the ACM     Full-text available via subscription   (Followers: 59)
Communications of the Association for Information Systems     Open Access   (Followers: 15)
Communications on Applied Mathematics and Computation     Hybrid Journal   (Followers: 1)
COMPEL: The International Journal for Computation and Mathematics in Electrical and Electronic Engineering     Hybrid Journal   (Followers: 4)
Complex & Intelligent Systems     Open Access   (Followers: 1)
Complex Adaptive Systems Modeling     Open Access  
Complex Analysis and Operator Theory     Hybrid Journal   (Followers: 2)
Complexity     Hybrid Journal   (Followers: 8)
Computación y Sistemas     Open Access  
Computation     Open Access   (Followers: 1)
Computational and Applied Mathematics     Hybrid Journal   (Followers: 3)
Computational and Mathematical Methods     Hybrid Journal  
Computational and Mathematical Methods in Medicine     Open Access   (Followers: 2)
Computational and Mathematical Organization Theory     Hybrid Journal   (Followers: 1)
Computational and Structural Biotechnology Journal     Open Access   (Followers: 1)
Computational and Theoretical Chemistry     Hybrid Journal   (Followers: 11)
Computational Astrophysics and Cosmology     Open Access   (Followers: 7)
Computational Biology and Chemistry     Hybrid Journal   (Followers: 13)
Computational Biology Journal     Open Access   (Followers: 6)
Computational Brain & Behavior     Hybrid Journal   (Followers: 1)
Computational Chemistry     Open Access   (Followers: 3)
Computational Communication Research     Open Access   (Followers: 1)
Computational Complexity     Hybrid Journal   (Followers: 5)
Computational Condensed Matter     Open Access   (Followers: 1)

        1 2 3 4 5 6 7 | Last

Similar Journals
Journal Cover
Computational and Theoretical Chemistry
Journal Prestige (SJR): 0.506
Citation Impact (citeScore): 1
Number of Followers: 11  
 
  Hybrid Journal Hybrid journal (It can contain Open Access articles)
ISSN (Print) 2210-271X - ISSN (Online) 2210-271X
Published by Elsevier Homepage  [2906 journals]
  • Adsorption of CO2, H2O, H2S, NH3, and NO2 on germanane nanosheet—A
           density functional study

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      Abstract: Publication date: Available online 26 June 2022Source: Computational and Theoretical ChemistryAuthor(s): V. Kannan, V. Ganesan, V. Vijayakumar
       
  • Infrared absorption cross section and radiative forcing efficiency
           features of four hydrofluoropolyethers: Performance of some DFT
           functionals

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      Abstract: Publication date: Available online 26 June 2022Source: Computational and Theoretical ChemistryAuthor(s): Olivier Holtomo, Nfor Moni Harison, Mama Nsangou, Ousmanou Motapon
       
  • The effect of molecular decoration on formation of curved and twisted
           graphene

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      Abstract: Publication date: Available online 25 June 2022Source: Computational and Theoretical ChemistryAuthor(s): Fatih Ahmet Celik, Koray Koksal, Engin Yilmaz
       
  • Quantum chemical study of the hydrolysis of oxidized endogenous
           psychedelic N,N-dimethyltryptamine

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      Abstract: Publication date: Available online 23 June 2022Source: Computational and Theoretical ChemistryAuthor(s): Károly Kubicskó, Richárd D. Kovács, Ödön Farkas
       
  • Unravelling the adsorption performance of BN, AlN, GaN and InN 2D
           nanosheets towards the ciclopirox, 5-fluorouracil and nitrosourea for
           anticancer drug delivery motive: A DFT-D with QTAIM, PCM and COSMO
           investigations

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      Abstract: Publication date: Available online 22 June 2022Source: Computational and Theoretical ChemistryAuthor(s): Tanvir Ahmed, Md. Aminur Rahman, Rafiqul Islam, Afiya Akter Piya, Siraj Ud Daula Shamim
       
  • First-principles investigation of Pt-doped MoTe2 for detecting
           characteristic air decomposition components in air insulation switchgear

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      Abstract: Publication date: Available online 22 June 2022Source: Computational and Theoretical ChemistryAuthor(s): Rong Zhou, Siqing Wu, Hao Cui, Peng Li, Tian Wu
       
  • DFT study on the mechanism of the CO2-to-CO conversion by
           Co-quaterpyridine complexes

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      Abstract: Publication date: Available online 20 June 2022Source: Computational and Theoretical ChemistryAuthor(s): Jingfeng Gao, Guoliang Dai
       
  • Magnetic properties of FePc sheet modified by the adsorption of gas
           molecules

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      Abstract: Publication date: Available online 18 June 2022Source: Computational and Theoretical ChemistryAuthor(s): Xike Wang, Hongbo Wang, Gang Chen
       
  • Potential application of some metal decorated AlP nano-sheet for detection
           of boron trichloride

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      Abstract: Publication date: Available online 18 June 2022Source: Computational and Theoretical ChemistryAuthor(s): Mustafa M. Kadhim, Ghufran Sh. Jassim, Rasha Fadhel Obaid, Taleeb Zedan Taban, Haider A. Almashhadani, Safa K. Hachim, Saroj Sharma
       
  • Catalyst-Free [3 + 2] Cycloaddition Reaction of Oxa-, Aza-, and
           Thio-bicyclic Alkenes with Cyclic and Acyclic Nitrones: A Mechanistic
           Study

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      Abstract: Publication date: Available online 17 June 2022Source: Computational and Theoretical ChemistryAuthor(s): George Baffour Pipim, Ernest Opoku
       
  • Topological and DFT studies of 8-hydroxyquinoline derivatives and its
           copper complex in crystal having supramolecular interactions network

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      Abstract: Publication date: Available online 15 June 2022Source: Computational and Theoretical ChemistryAuthor(s): Arif Ali, Abdullah Alarifi, Mohammad Jane Alam, Shabbir Ahmad, Mohd Afzal, Saleem Javed, Musheer Ahmad, Nayim Sepay
       
  • A TD-DFT Study on Photoswitchable Chloride Salts Receptor Based on
           Acylhydrazone and Crown Ether Embedded Macrocyclic Molecule

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      Abstract: Publication date: Available online 15 June 2022Source: Computational and Theoretical ChemistryAuthor(s): Ya Gao, Meng Xu, Changjian Lv, Liancai Xu, Zhiqiang Zhang, Shun Xu
       
  • Group 13 Complexes for Methane Activation

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      Abstract: Publication date: Available online 14 June 2022Source: Computational and Theoretical ChemistryAuthor(s): Drishti Gupta, Thomas R. Cundari
       
  • Comparative DFT study of americium and europium complexation with
           2,9-bis(1,2-diazin-3-yl)-1,10-phenanthroline ligand in gas phase

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      Abstract: Publication date: Available online 11 June 2022Source: Computational and Theoretical ChemistryAuthor(s): Jaanus Burk, Lauri Sikk, Kaido Tämm, Peeter Burk
       
  • Quantum chemical and theoretical kinetics studies on the reactions of
           hydroperoxy radical with methanethiol and ethanethiol

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      Abstract: Publication date: Available online 11 June 2022Source: Computational and Theoretical ChemistryAuthor(s): Gai Shi, Jinou Song
       
  • Efficient NO2 removal induced by transition-metal doped and co-doped
           graphene: An ab-initio study

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      Abstract: Publication date: August 2022Source: Computational and Theoretical Chemistry, Volume 1214Author(s): Erika Camarillo-Salazar, Reyes Garcia-Diaz, Yuliana Avila-Alvarado, J. Guerrero-Sanchez, Gregorio Hernández Cocoletzi, María Teresa Romero de la Cruz
       
  • The energetical, electronic and optical properties of the intermetallic
           fullerene Fe@C60

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      Abstract: Publication date: Available online 8 June 2022Source: Computational and Theoretical ChemistryAuthor(s): Vladislav V. Shunaev, Richard Pincak, Olga E. Glukhova
       
  • Geometric, electronic and spectral properties of germanium and Eu-doped
           germanium clusters

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      Abstract: Publication date: Available online 7 June 2022Source: Computational and Theoretical ChemistryAuthor(s): Fatemeh Abyar, Fatemeh Bamdadi, Reza Behjatmanesh-Ardakani
       
  • Ab initio diffusion quantum Monte Carlo study of the structural and
           electronic properties of small Lithium-Chloride LinCl (0,1+) (n=1-7)
           clusters

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      Abstract: Publication date: Available online 6 June 2022Source: Computational and Theoretical ChemistryAuthor(s): Zhen Gao, Xinlu Cheng, Minjia Zhao
       
  • A C19Ti Cage Vehicle for the Drug Delivery of Purinethol Anticancer:
           Computational Assessments

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      Abstract: Publication date: Available online 6 June 2022Source: Computational and Theoretical ChemistryAuthor(s): A. El Jery, M.F. Nassar, A. Hassan, M.A. Saadoon, A. Ilhan, H. Roy, K.M. Khedher
       
  • Solvent Effects on the Original Molecular Recovery from the Solvated
           Solute Monomers of Cyclic Nitramine Explosives

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      Abstract: Publication date: Available online 6 June 2022Source: Computational and Theoretical ChemistryAuthor(s): Yi Hu, Junjie Zhang, Peicheng Luo
       
  • Tuning the photovoltaic parameters of spiro[fluorenexanthene]-diol
           (SFX-OH)-based crosslinked donor materials for efficient organic solar
           cells

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      Abstract: Publication date: Available online 6 June 2022Source: Computational and Theoretical ChemistryAuthor(s): Shehla Gul, Zainab Mufarreh Elqahtani, Ijaz Ahmed Bhatti, Javed Iqbal, M.S. Al-Buriahi, Sultan Alomairy
       
  • A mechanistic view of the reaction between phosphine and fluorine atom:
           insights into PH3F isomers

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      Abstract: Publication date: Available online 31 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Rommel B. Viana, Ranylson M.L. Savedra, Albérico B.F. da Silva
       
  • Theoretical Insight into mechanism of antioxidant capacity of atorvastatin
           and its o-hydroxy and p-hydroxy metabolites, using DFT methods

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      Abstract: Publication date: Available online 30 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Luisa Duque, Gabriel Guerrero, Jhon H. Colorado, Julián A. Restrepo, Ederley Vélez
       
  • Investigating an Iron-Doped Fullerene Cage for Adsorption of Niacin
           (Vitamin B3): DFT Analyses of Bimolecular Complex Formations

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      Abstract: Publication date: Available online 30 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Fatemeh Meghdadi Esfahani, Ebrahim Balali, Seyedeh Sedigheh Hashemi, Ramona Khadivi, Mohsen Mohammad Raei Nayini, B. Voung
       
  • Transport through a biphenyl system as a function of torsion angle: an
           effective coupling model approach

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      Abstract: Publication date: Available online 30 May 2022Source: Computational and Theoretical ChemistryAuthor(s): A. C. L Moreira, C.P. de Melo, H.C. Tinoco
       
  • DFT study of transition metals doped calix-4-pyrrole with excellent
           electronic and non-linear optical properties

    • Free pre-print version: Loading...

      Abstract: Publication date: Available online 30 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Areeba Asif, Nimra Maqsood, Zainab Mufarreh Elqahtani, Khurshid Ayub, Muhammad Ans, Javed Iqbal, M.S. Al-Buriahi, Sultan Alomairy, Z.A. Alrowaili
       
  • First-principles Calculations to Investigate Variation in the Bandgap of
           NaSrF3 Fluoro-Perovskite with External Static Isotropic Pressure and its
           Impact on Optical Properties

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      Abstract: Publication date: Available online 30 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Muhammad Usman, Jalil Ur Rehman, M. Bilal Tahir, Abid Hussain, Muhammad Sagir, Mohammed A. Assiri, Muhammad Imran, Meshal Alzaid, Hussein Alrobei
       
  • Enhanced DFT Insights of Doped Phosphorene: Structural and Electronic
           Considerations

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      Abstract: Publication date: Available online 29 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Sneha Upadhyay, Pankaj Srivastava
       
  • DFT study for hydrogen storage on γ -Boron-Graphyne decorated with Li
           atoms

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      Abstract: Publication date: Available online 29 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Frank J. Isidro-Ortega, J.S. Arellano, Nayely Torres-Gómez, Abraham González-Ruíz, Armando Vera-Garcia
       
  • Molecular dynamics simulation on ε-CL-20 based PBXs with chain-extended
           poly(3,3-bis(azidomethyl)oxetane)

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      Abstract: Publication date: Available online 28 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Miao Chen, Jiawei Li, Bozhou Wang, Xianming Lu, Binghui Duan, Ning Liu
       
  • Investigation of anti-Tumor (E)-3-X-oxindole via functionalization of C20
           nano structure: A DFT approach

    • Free pre-print version: Loading...

      Abstract: Publication date: Available online 28 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Mohammad Reza Poor Heravi, Sarvin Mohammadi-Aghdam, Sepideh Habibzadeh, Abdol Ghaffar Ebadi, Seyed Mohammad Shoaei, Mustafa M. Kadhim, Bayan Azizi
       
  • Enhanced oxygen reduction reaction activity by utilizing carbon nanotube
           intramolecular junctions

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      Abstract: Publication date: Available online 28 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Haiye Zhu, Manxi Leng, Xingbo Ge, Xin Chen
       
  • Investigation of the oxygen coverage of propylene epoxidation on Ag(111)
           surfaces from DFT

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      Abstract: Publication date: Available online 26 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Rong-Rong Ren, Cun-Qin Lv, Jian-Hong Liu, Gui-Chang Wang
       
  • Boron Doped Graphene as Anode Material for Mg Ion Battery: A DFT Study

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      Abstract: Publication date: Available online 26 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Mohd Riyaz, Shivangi Garg, Navjot Kaur, Neetu goel
       
  • 2D boron nitride material as a sensor for H2SiCl2

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      Abstract: Publication date: July 2022Source: Computational and Theoretical Chemistry, Volume 1213Author(s): Mohsen Doust Mohammadi, Hewa Y. Abdullah, Hitler Louis, Gideon E. Mathias
       
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