THE EXTENDED LAW OF CORRESPONDING - STATES AND THE INTERMOLECULAR POTENTIALS FOR Ar-Ar, Ar-Kr AND Kr-Kr

“…The experimentally-reduced viscosity collision integrals obtained from the corresponding - states correlation have been inverted directly to give the reduced-intermolecular potential energy curves corresponding to the collision integrals. …”
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A drug-drug co-amorphous system for highly improved solubility of breviscapine: an experimental and computational study by Zhi Dong, Wenbin Jin, Jiao Wang, Huiyun Yin, Yan Ma, Xixi Hu, Jiali Wang, Chen Liu, Wenping Wang

“…In silico analysis of electrostatic potential and local ionization energy were conducted on BRE-MAT complex to predict the intermolecular interactions, and solvent-free energies were calculated using thermodynamic integration and density functional theory. …”
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Effect of carboxymethyl cellulose and/or wheat gluten on the pasting, rheological and quality properties of wheat starch-based batter for deep-fried products by Ying Xu, Ruishu Zhang, Kangyu Wang, Prince Chisoro, Feng Huang, Jing Wang, Chunhui Zhang

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Integration of phytochemical profiling and computational approaches to evaluate the neuroprotective potential of Nardostachys jatamansi in Alzheimer's disease by Abdul Jalil Shah, Mohammad Younis Dar, Mohd Adnan, Tanmaykumar Varma, Dhairiya Agarwal, Prabha Garg, Reyaz Hassan Mir, Rampratap Meena, Mubashir Hussain Masoodi

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Tuning thermal stability and mechanical sensitivity of polynitro compounds via integrating energetic ionic salts by Mei-Qi Xu, Wen-Shuai Dong, Zu-Jia Lu, Cong Li, Chao Zhang, Bin-Shan Zhao, Deng-Ke Li, Feng-Yuan Tian, Qi-Yao Yu, Jian-Guo Zhang

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Integrated Electrochemical and Computational Elucidation of Nitro Blue Tetrazolium Chloride as an Efficient Leveler for Copper Microvia Superfilling by Dong Xing, Xiangfu Wei, Jinge Ye, Mingsong Lin, Shengchang Tang, Hui You

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Impact of Supercritical Carbon Dioxide on Pore Structure and Gas Transport in Bituminous Coal: An Integrated Experiment and Simulation by Kui Dong, Zhiyu Niu, Shaoqi Kong, Bingyi Jia

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Unraveling Cordia myxa’s anti-malarial potential: integrative insights from network pharmacology, molecular modeling, and machine learning by Yufei Miao, Wenkang Liu, Sarah Mohammed Saeed Alsallameh, Norah A. Albekairi, Ziyad Tariq Muhseen, Christopher J. Butch

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Discovery of Novel Natural Inhibitors of H5N1 Neuraminidase Using Integrated Molecular Modeling and ADMET Prediction by Afaf Zekri, Mebarka Ouassaf, Shafi Ullah Khan, Kannan R. R. Rengasamy, Bader Y. Alhatlani

“…The MD simulations confirmed the structural stability of all three ligand–NA complexes, supported by robust and complementary intermolecular interactions. In contrast, Zanamivir exhibited limited hydrophobic interactions, compromising its binding stability within the active site. …”
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Integrative computational approaches identify haptoglobin inhibitors to modulate erythrocyte sedimentation rate in trauma-linked inflammatory and haematological malignancies by Abdulaziz H. Al Khzem, Shaban Ahmad

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Dimensionally integrated hybrid films of Ti3C2Tx MXene and cellulose nanocrystals for high-performance supercapacitors by Seulgi Kim, Segi Byun, Seoyeon Yuk, Sunghee Choi, Sung Ho Song, Dongju Lee

“…This study introduces a straightforward method for creating a dimensionally integrated hybrid film that combines Ti3C2Tx MXene (2D) with cellulose nanocrystals (1D). …”
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Development and characterization of electrospun chitosan-chitin-PVA nanofiber: exploring structural integrity, crystallinity, and thermal stability for advanced applications by Carlos M. Cruz-Segundo, Salomon R. Vasquez-Garcia, Nelly Flores-Ramirez, Raymundo Sanchez-Orozco, Hamdy A. Abdel-Gawwad, Arlette A. Santiago, J. Vargas

“…This enhancement is attributed to the highly ordered crystalline structure and strong intermolecular hydrogen bonding of hCh. The findings underscore that the integration of chitin into chitosan-based nanofibers significantly improves their structural integrity, thermal resistance, and crystallinity. …”
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Neon dimers in momentum and configuration spaces by R. Ahnouch, M. R. Hadizadeh

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Synergistic adsorption–photocatalytic degradation of the emerging contaminant hydroxybenzotriazole by a 3D sponge-like easy separation polypyrrole/TiO2 composite by Rehab A. Omar, Emad K. Radwan, Said A. Salih, Gehad G. Mohamed

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Thermal Interaction Mechanisms of Ammonium Perchlorate and Ammonia Borane by Yunlong Zhang, Rui Pu, Shaoli Chen, Qilong Yan

“…In this study, AB/ammonium perchlorate (AP) composites were synthesized via freeze-drying at a 1:1 molar ratio. The integration of AP introduced intermolecular interactions that suppressed AB decomposition, increasing the onset temperature by 80 °C. …”
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Dependence of the mechanical fracture energy of the polymeric composite material from the mixture of filler fractions by E. M. Nurullaev, A. S. Ermilov

“…The solution of the integral equation was implemented using the corresponding dependence of stress on relative elongation at uniaxial tension. …”
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SECOND VIRIAL COEFFICIENTS OF NONSPHERICAL MOLECULES WITH INDIVIDUAL DAMPING OF HFDID 1 POTENTIAL

“…A revised analysis is given of the effect of long-range nonspherical terms in the intermolecular potential on the second virial coefficient given by a preferred HFDIDl spherical core treatment of the integration for small intermolecular distances. …”
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Tailoring Polyamide66 Mechanical Performance: A Strategy for Condensed Phase Structure Optimization Through Hydrogen Bond Reorganization by Wen-Yan Wang, Pan He, Ting Peng, Shuai Zhang, Guang-Zhao Li, Min Nie, Rui Han

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MODIFIED NUMERICAL TABLES FOR THE CALCULATION OF NON-SPHERICAL CONTRIBUTION TO SECOND VIRIAL COEFFICIENTS AND THE CORRELATION EQUATIONS OF STATE FOR CO,, CS, AND C6H6

“…A revised analysis of the effect of long-range nonspherical terms in the intermolecular potential on the second virial coefficient is presented with a preferred Hartree-Fock-Dispersion functional (HFD-C) spherical core treatment of the integrations for small intermolecular distances. …”
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Advances in nitrogen-containing helicenes: synthesis, chiroptical properties, and optoelectronic applications by Meng Qiu, Jing Du, Nai-Te Yao, Xin-Yue Wang, Han-Yuan Gong

“…The incorporation of nitrogen enables precise modulation of electronic structures, redox characteristics, and intermolecular interactions, thereby enhancing performance in circularly polarized luminescence (CPL), thermally activated delayed fluorescence (TADF), and chiral sensing. …”
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