Subjects -> CHEMISTRY (Total: 928 journals)
    - ANALYTICAL CHEMISTRY (59 journals)
    - CHEMISTRY (661 journals)
    - CRYSTALLOGRAPHY (23 journals)
    - ELECTROCHEMISTRY (28 journals)
    - INORGANIC CHEMISTRY (45 journals)
    - ORGANIC CHEMISTRY (47 journals)
    - PHYSICAL CHEMISTRY (65 journals)

CHEMISTRY (661 journals)            First | 1 2 3 4 | Last

Showing 201 - 400 of 735 Journals sorted alphabetically
Comptes Rendus : Physique     Open Access   (Followers: 3)
Computational and Theoretical Chemistry     Hybrid Journal   (Followers: 11)
Computational Biology and Chemistry     Hybrid Journal   (Followers: 13)
Computational Chemistry     Open Access   (Followers: 3)
Computers & Chemical Engineering     Hybrid Journal   (Followers: 12)
Coordination Chemistry Reviews     Full-text available via subscription   (Followers: 6)
Corrosion Communications     Open Access  
Critical Reviews in Biochemistry and Molecular Biology     Hybrid Journal   (Followers: 17)
Croatica Chemica Acta     Open Access  
CrystEngComm     Hybrid Journal   (Followers: 10)
Current Catalysis     Hybrid Journal   (Followers: 2)
Current Opinion in Colloid & Interface Science     Hybrid Journal   (Followers: 8)
Current Opinion in Green and Sustainable Chemistry     Hybrid Journal  
Current Opinion in Molecular Therapeutics     Full-text available via subscription   (Followers: 8)
Current Protocols in Nucleic Acid Chemistry     Hybrid Journal  
Current Protocols in Protein Science     Hybrid Journal   (Followers: 1)
Current Research in Chemical Biology     Open Access  
Current Research in Chemistry     Open Access   (Followers: 7)
Current Research in Green and Sustainable Chemistry     Open Access  
Current Science     Open Access   (Followers: 117)
Current Topics in Medicinal Chemistry     Hybrid Journal   (Followers: 7)
Dalton Transactions     Hybrid Journal   (Followers: 23)
Detection     Open Access   (Followers: 3)
Diamond and Related Materials     Hybrid Journal   (Followers: 10)
Doklady Chemistry     Hybrid Journal  
Drying Technology: An International Journal     Hybrid Journal   (Followers: 4)
Ecological Chemistry and Engineering S     Open Access   (Followers: 2)
Educação Química en Punto de Vista     Open Access  
Educación Química     Open Access   (Followers: 1)
Education for Chemical Engineers     Hybrid Journal   (Followers: 5)
EDUSAINS     Open Access  
EJNMMI Radiopharmacy and Chemistry     Open Access  
Elements     Full-text available via subscription   (Followers: 3)
Energetic Materials Frontiers     Open Access  
EnergyChem     Hybrid Journal   (Followers: 1)
Environmental Chemistry     Hybrid Journal   (Followers: 9)
Environmental Chemistry and Ecotoxicology     Open Access  
Environmental Chemistry Letters     Hybrid Journal   (Followers: 4)
Environmental Science & Technology Letters     Hybrid Journal   (Followers: 8)
Environmental Science : Nano     Hybrid Journal   (Followers: 2)
Environmental Toxicology & Chemistry     Hybrid Journal   (Followers: 22)
Enzyme Research     Open Access   (Followers: 4)
Eurasian Chemico-Technological Journal     Open Access  
European Journal of Chemistry     Open Access   (Followers: 25)
European Journal of Histochemistry     Open Access   (Followers: 4)
European Journal of Medicinal Chemistry     Hybrid Journal   (Followers: 20)
European Journal of Medicinal Chemistry Reports     Open Access  
European Online Journal of Natural and Social Sciences     Open Access   (Followers: 4)
Faraday Discussions     Hybrid Journal   (Followers: 3)
Fine Chemical Technologies / Тонкие химические технологии     Open Access  
FirePhysChem     Open Access  
Fitoterapia     Hybrid Journal   (Followers: 4)
FlatChem : Chemistry of Flat Materials     Hybrid Journal  
Fluid Phase Equilibria     Hybrid Journal   (Followers: 4)
Folia Histochemica et Cytobiologica     Open Access  
Folia Microbiologica     Hybrid Journal   (Followers: 2)
Food Chemistry : Molecular Sciences     Open Access   (Followers: 1)
Food Digestion     Hybrid Journal   (Followers: 5)
Food Security     Open Access   (Followers: 11)
Food Structure     Hybrid Journal   (Followers: 3)
Forensic Chemistry     Hybrid Journal   (Followers: 9)
Foundations of Chemistry     Hybrid Journal   (Followers: 4)
Frontiers in Chemistry     Open Access   (Followers: 4)
Frontiers in Soil Science     Open Access  
Frontiers of Chemical Science and Engineering     Hybrid Journal   (Followers: 5)
Fullerenes, Nanotubes and Carbon Nanostructures     Hybrid Journal   (Followers: 9)
Future Medicinal Chemistry     Full-text available via subscription   (Followers: 5)
Gases     Open Access   (Followers: 1)
Gels     Open Access  
Geochemical Transactions     Open Access   (Followers: 2)
Geofluids     Open Access   (Followers: 5)
Giant     Open Access   (Followers: 1)
Graphene     Open Access   (Followers: 7)
Graphene     Full-text available via subscription   (Followers: 3)
Graphene Technology     Hybrid Journal  
Green Analytical Chemistry     Open Access   (Followers: 7)
Green and Sustainable Chemistry     Open Access   (Followers: 4)
Green Chemistry Letters and Reviews     Open Access   (Followers: 6)
Green Synthesis and Catalysis     Open Access  
GSTF Journal of Chemical Sciences (JChem)     Open Access  
Helvetica Chimica Acta     Hybrid Journal   (Followers: 30)
Heritage Science     Open Access   (Followers: 5)
Heteroatom Chemistry     Open Access   (Followers: 3)
High Energy Chemistry     Hybrid Journal  
Indian Chemical Engineer     Hybrid Journal   (Followers: 4)
Indian Journal of Chemical Technology (IJCT)     Open Access   (Followers: 9)
Indian Journal of Chemistry - Section B (IJC-B)     Open Access   (Followers: 10)
Indian Journal of Natural Products and Resources (IJNPR)     Open Access   (Followers: 1)
Indonesian Journal of Chemical Science     Open Access  
Indonesian Journal of Chemistry     Open Access   (Followers: 1)
Indonesian Journal of Pure and Applied Chemistry     Partially Free  
Industrial & Engineering Chemistry     Full-text available via subscription   (Followers: 10)
InfoMat     Open Access  
Inorganic Chemistry     Hybrid Journal   (Followers: 31)
Inorganic Chemistry Communications     Hybrid Journal   (Followers: 13)
Inorganic Materials     Hybrid Journal   (Followers: 5)
Inorganica Chimica Acta     Hybrid Journal   (Followers: 6)
Instrumentation Science & Technology     Hybrid Journal   (Followers: 7)
International Archives of Science and Technology     Open Access  
International Journal for Ion Mobility Spectrometry     Hybrid Journal   (Followers: 1)
International Journal of Adhesion and Adhesives     Hybrid Journal   (Followers: 18)
International Journal of Advanced Chemistry     Open Access   (Followers: 1)
International Journal of Agrochemistry     Full-text available via subscription  
International Journal of Analytical Mass Spectrometry and Chromatography     Open Access   (Followers: 7)
International Journal of Biological and Chemical Sciences     Open Access   (Followers: 4)
International Journal of Biological Chemistry     Open Access   (Followers: 2)
International Journal of Biological, Physical and Chemical Studies     Open Access  
International Journal of Chemical Kinetics     Hybrid Journal   (Followers: 7)
International Journal of Chemical Technology     Open Access   (Followers: 7)
International Journal of Chemistry     Open Access   (Followers: 10)
International Journal of Chemistry and Technology     Open Access   (Followers: 1)
International Journal of Chemoinformatics and Chemical Engineering     Full-text available via subscription   (Followers: 2)
International Journal of Corrosion     Open Access   (Followers: 10)
International Journal of Energetic Materials     Full-text available via subscription  
International Journal of Environmental Chemistry     Full-text available via subscription  
International Journal of Materials and Chemistry     Open Access   (Followers: 7)
International Journal of Medicinal Chemistry     Open Access   (Followers: 4)
International Journal of Minerals, Metallurgy, and Materials     Hybrid Journal   (Followers: 9)
International Journal of Molecular Sciences     Open Access   (Followers: 2)
International Journal of Nano Dimension     Open Access   (Followers: 2)
International Journal of Photoenergy     Open Access   (Followers: 3)
International Journal of Spray and Combustion Dynamics     Full-text available via subscription   (Followers: 15)
International Journal of Thermodynamics and Chemical Kinetics     Full-text available via subscription   (Followers: 2)
International Journal of Tryptophan Research     Open Access  
International Letters of Chemistry, Physics and Astronomy     Open Access   (Followers: 9)
International Research Journal of Pure and Applied Chemistry     Open Access  
Iranian Journal of Chemistry and Chemical Engineering (IJCCE)     Open Access   (Followers: 1)
Iranian Polymer Journal     Hybrid Journal   (Followers: 3)
Iraqi Journal of Pharmacy     Open Access  
Israel Journal of Chemistry     Full-text available via subscription   (Followers: 4)
IUCrData     Open Access   (Followers: 1)
JACS Au     Open Access  
JBIC Journal of Biological Inorganic Chemistry     Hybrid Journal   (Followers: 2)
JCIS Open     Open Access   (Followers: 1)
JOT Journal für Oberflächentechnik     Hybrid Journal   (Followers: 1)
JOT-International Surface Technology     Hybrid Journal   (Followers: 1)
Journal of Adhesion     Hybrid Journal   (Followers: 7)
Journal of Adhesion Science and Technology     Hybrid Journal   (Followers: 10)
Journal of Advances in Chemistry     Open Access   (Followers: 4)
Journal of Agricultural and Food Chemistry     Hybrid Journal   (Followers: 9)
Journal of Agricultural Chemistry and Environment     Open Access   (Followers: 3)
Journal of Al-Qadisiyah for Pure Science     Open Access  
Journal of Amino Acids     Open Access   (Followers: 1)
Journal of Analytical Methods in Chemistry     Open Access   (Followers: 1)
Journal of Analytical Sciences, Methods and Instrumentation     Open Access   (Followers: 4)
Journal of AOAC International     Hybrid Journal   (Followers: 4)
Journal of Applied Chemistry     Open Access   (Followers: 6)
Journal of Applied Solution Chemistry and Modeling     Hybrid Journal   (Followers: 1)
Journal of Applied Spectroscopy     Hybrid Journal   (Followers: 9)
Journal of Biomaterials and Nanobiotechnology     Open Access   (Followers: 6)
Journal of Boron     Open Access  
Journal of Carbohydrate Chemistry     Hybrid Journal   (Followers: 4)
Journal of Catalysis     Hybrid Journal   (Followers: 11)
Journal of Catalyst & Catalysis     Full-text available via subscription   (Followers: 2)
Journal of Chemical & Engineering Data     Hybrid Journal   (Followers: 10)
Journal of Chemical Education     Hybrid Journal   (Followers: 20)
Journal of Chemical Information and Modeling     Hybrid Journal   (Followers: 18)
Journal of Chemical Research     Open Access   (Followers: 6)
Journal of Chemical Reviews     Open Access  
Journal of Chemical Sciences     Partially Free   (Followers: 22)
Journal of Chemical Theory and Computation     Hybrid Journal   (Followers: 21)
Journal of Chemical Thermodynamics     Hybrid Journal   (Followers: 7)
Journal of Cheminformatics     Open Access   (Followers: 7)
Journal of Chemistry     Open Access   (Followers: 6)
Journal of Chemistry, Environmental Sciences and its Applications     Open Access   (Followers: 2)
Journal of Chemometrics     Hybrid Journal   (Followers: 9)
Journal of Chromatography A     Hybrid Journal   (Followers: 61)
Journal of Chromatography Open     Open Access   (Followers: 1)
Journal of Coating Science and Technology     Hybrid Journal  
Journal of Colloid and Interface Science     Hybrid Journal   (Followers: 16)
Journal of Computational Chemistry     Hybrid Journal   (Followers: 21)
Journal of Coordination Chemistry     Hybrid Journal   (Followers: 5)
Journal of Dispersion Science and Technology     Hybrid Journal  
Journal of Education and Science     Open Access   (Followers: 2)
Journal of Encapsulation and Adsorption Sciences     Open Access   (Followers: 1)
Journal of Energy Chemistry     Full-text available via subscription   (Followers: 3)
Journal of Flow Chemistry     Full-text available via subscription   (Followers: 1)
Journal of Fluorescence     Hybrid Journal   (Followers: 3)
Journal of Fluorine Chemistry     Hybrid Journal   (Followers: 7)
Journal of Fuel Chemistry and Technology     Full-text available via subscription   (Followers: 1)
Journal of Great Lakes Research     Hybrid Journal   (Followers: 5)
Journal of Heterocyclic Chemistry     Hybrid Journal   (Followers: 9)
Journal of Immunoassay and Immunochemistry     Hybrid Journal   (Followers: 8)
Journal of Inclusion Phenomena and Macrocyclic Chemistry     Hybrid Journal   (Followers: 1)
Journal of Inorganic Biochemistry     Hybrid Journal   (Followers: 4)
Journal of Ionic Liquids     Open Access  
Journal of Labelled Compounds and Radiopharmaceuticals     Hybrid Journal   (Followers: 4)
Journal of Macromolecular Science, Part A: Pure and Applied Chemistry     Hybrid Journal   (Followers: 1)
Journal of Mass Spectrometry     Hybrid Journal   (Followers: 39)
Journal of Materials Chemistry A : Materials for Energy and Sustainability     Hybrid Journal   (Followers: 40)
Journal of Materials Chemistry B : Materials for Biology and Medicine     Hybrid Journal   (Followers: 11)
Journal of Materials Chemistry C : Materials for Optical, Magnetic and Electronic Devices     Hybrid Journal   (Followers: 17)
Journal of Materials Physics and Chemistry     Open Access   (Followers: 7)
Journal of Materials Research     Full-text available via subscription   (Followers: 13)
Journal of Materials Science and Chemical Engineering     Open Access   (Followers: 1)
Journal of Mathematical Chemistry     Hybrid Journal   (Followers: 5)
Journal of Medicinal Chemistry     Hybrid Journal   (Followers: 136)
Journal of Membrane Science     Hybrid Journal   (Followers: 22)
Journal of Metastable and Nanocrystalline Materials     Full-text available via subscription   (Followers: 1)
Journal of Modern Chemistry & Chemical Technology     Open Access   (Followers: 2)

  First | 1 2 3 4 | 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]
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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
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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
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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
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      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
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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
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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

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      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
       
  • Photosubstitution reaction of a bidentate ligand in a Ru(II) complex in
           aqueous solution

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      Abstract: Publication date: July 2022Source: Computational and Theoretical Chemistry, Volume 1213Author(s): Megumi Kayanuma
       
  • Structure and electronic properties of the HA-CUR conjugate: an insight
           from the DFT perspective

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      Abstract: Publication date: Available online 26 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Syed Ajaz K. Kirmani, Parvez Ali, Faizul Azam, A.E. Kuznetsov, P.A. Alvi
       
  • The Inhibition Efficiencies of Some Organic Corrosion Inhibitors of Iron:
           An Insight from Density Functional Theory Study

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      Abstract: Publication date: Available online 25 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Zi-Yu Liu, Dan Wang, Dian-Tao Li, Hong-Qiang Wang
       
  • Optimal model of semi-infinite graphene for ab initio calculations of
           reactions at graphene edges by the example of zigzag edge reconstruction

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      Abstract: Publication date: Available online 25 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Yulia G. Polynskaya, Irina V. Lebedeva, Andrey A. Knizhnik, Andrey M. Popov
       
  • Ni-Doped Janus HfSSe Monolayer as a Promising HCHO and C2H3Cl Sensors in
           Dry-Type Reactor: A First-Principles Theory

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      Abstract: Publication date: Available online 23 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Qi Zhao, Yuyan Man, Suya Li, Songyuan Li, Lin Li, Nan Li, Qi Ning
       
  • Strategies toward the end-group modifications of indacenodithiophene based
           non-fullerene small molecule acceptor to improve the efficiency of Organic
           solar Cells; a DFT study

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      Abstract: Publication date: Available online 20 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Mafia Rani, Javed Iqbal, Rana Farhat Mehmood, Ehsan Ullah Rashid, Misbah, Saima Rani, Muhammad Raheel, Rasheed Ahmad Khera
       
  • Theoretical discussion on the Hydrogen Bond Interactions between Acrylic
           Acid dimer and dibutyl ether Monomer

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      Abstract: Publication date: Available online 20 May 2022Source: Computational and Theoretical ChemistryAuthor(s): S.P. Naganandhini, T. Sangeetha, R. Sahana, P. Mounica, G. Rajmohan, P. Dineshkumar, G. Arivazhagan
       
  • The catalytic mechanism of hydroformylation of 1-butene on
           rhodium-coordinated organic linkers in MOFs: A computational study

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      Abstract: Publication date: Available online 18 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Yifei Chen, Yuming Qi, Hao Gong
       
  • Chiral separation study of atenolol and carvedilol β-blocker drugs by
           DFT calculations

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      Abstract: Publication date: Available online 16 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Pollyanna P. Maia, Camila A. Nascimento, Camilla F. Silva, Clebio S. Nascimento Jr.
       
  • Bridging H2O and H2S homomeric clusters via H2O-H2S mixed clusters: Impact
           of the changing ratio of H2O and H2S moieties

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      Abstract: Publication date: Available online 14 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Monu, Binod Kumar Oram, Biman Bandyopadhyay
       
  • Betulinic acid and 3-o-acetyl-betulinic acid interactions with external
           and internal surface of boron-nitride nanotubes: A DFT and MD
           investigation

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      Abstract: Publication date: Available online 13 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Mahdiye Poorsargol, Zahra Setayesh-Mehr
       
  • The small gas activities on different number of nitrogen atom doping to
           Cobalt embedded graphene

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      Abstract: Publication date: Available online 10 May 2022Source: Computational and Theoretical ChemistryAuthor(s): H. Küçük
       
  • Origin of the unexpected attractive interactions between positive σ-holes
           and positive π-lumps

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      Abstract: Publication date: July 2022Source: Computational and Theoretical Chemistry, Volume 1213Author(s): Yu Zhang, Weizhou Wang
       
  • Pyrolysis Mechanism of Tetrahydrotricyclopentadiene by ReaxFF Reactive
           Molecular Dynamics Simulations

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      Abstract: Publication date: Available online 7 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Yalan Liu, Zhihao Zhong, Shiqi Xu
       
  • Rate constant and mechanism of the OH-initiated degradation of
           3-penten-2-one in the atmosphere

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      Abstract: Publication date: Available online 6 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Benni Du, Weichao Zhang
       
  • Predicting the modulation of UV-vis absorption and emission of
           mono-substituted pyrido[2,3,4-kl]acridines by electronic density
           variations analysis

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      Abstract: Publication date: Available online 6 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Martin Tiano, Chloé Courdurié, Pauline Colinet
       
  • Structural and spectroscopic study of neutral dioxides MO2
           (M=B, Al, Ga, In, Tl)

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      Abstract: Publication date: Available online 5 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Neïla Terzi, Sana Hosni, Youssef Arfaoui
       
  • A Study on the Aromaticity and Main Conjugation Pathways of
           Triphyrin(2.1.1) and its Heteroanalogues

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      Abstract: Publication date: Available online 4 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Xingjia Gu, Satewaerdi Helili, Ablikim Kerim
       
  • Theoretical study of transition metal doped α-borophene nanosheet as
           promising electrocatalyst for electrochemical reduction of N2

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      Abstract: Publication date: Available online 4 May 2022Source: Computational and Theoretical ChemistryAuthor(s): Chenyin Li, Xin Liu, Dandan Wu, Hong Xu, Guohong Fan
       
  • Choice of Functional for Iron Porphirin Density Functional Theory Studies:
           Geometry, Spin-State, and Binding Energy Analysis

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      Abstract: Publication date: Available online 28 April 2022Source: Computational and Theoretical ChemistryAuthor(s): Sebastian Ovalle, Cecile Malardier-Jugroot
       
  • Two-dimension black arsenic-phosphorus as a promising NO sensor: A DFT
           study

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      Abstract: Publication date: Available online 27 April 2022Source: Computational and Theoretical ChemistryAuthor(s): Tengfei Wang, Xiaolei Li, Junkai Wang, Lu Li, Dong Li
       
 
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