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Journal articles on the topic 'Intermolecular model'

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Published: 10 December 2022
Last updated: 28 January 2023

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1

Walker, M. B. "Model for the anisotropic intermolecular potential forC60." Physical Review B 45, no. 23 (June 15, 1992): 13849–52. http://dx.doi.org/10.1103/physrevb.45.13849.

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2

Borden, Mark Andrew. "Intermolecular Forces Model for Lipid Microbubble Shells." Langmuir 35, no. 31 (December 13, 2018): 10042–51. http://dx.doi.org/10.1021/acs.langmuir.8b03641.

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3

Price, S. L. "Model anisotropic intermolecular potentials for saturated hydrocarbons." Acta Crystallographica Section B Structural Science 42, no. 4 (August 1, 1986): 388–401. http://dx.doi.org/10.1107/s0108768186098051.

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4

Agterberg, D. F., and M. B. Walker. "Model for the anisotropic intermolecular potential forC70." Physical Review B 48, no. 8 (August 15, 1993): 5630–33. http://dx.doi.org/10.1103/physrevb.48.5630.

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5

ROAMBA, Brahima, Jean de Dieu ZABSONRE, and Yacouba ZONGO. "On the Existence of Global Weak Solutions to 1D Pollutant Transport Model." Journal of Mathematics Research 9, no. 4 (July 23, 2017): 124. http://dx.doi.org/10.5539/jmr.v9n4p124.

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We consider a one-dimensionnal bilayer model coupling shallow water and Reynolds lubrication equations with a molecular interactions between molecules. These molecular interactions give rise to intermolecular forces, namely the long-range van der Waals forces and short-range Born intermolecular forces. In this paper, an expression will be used to take into account all these intermolecular forces. Our model is a similar model studied in (Roamba, Zabsonré & Zongo, 2017). The model considered is represented by the two superposed immiscible fluids. A similar model was studied in (Zabsonré Lucas & Fernandez-Nieto, 2009) but the authors do not take into account the intermolecular forces. Without hypothesis about the unknowns as in (Roamba, Zabsonré & Zongo, 2017), we show the existence of global weak solution in time in a periodic domain.
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6

Johnson, Erin R., and Axel D. Becke. "A post-Hartree–Fock model of intermolecular interactions." Journal of Chemical Physics 123, no. 2 (July 8, 2005): 024101. http://dx.doi.org/10.1063/1.1949201.

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7

Gordon, Mark S., Quentin A. Smith, Peng Xu, and Lyudmila V. Slipchenko. "Accurate First Principles Model Potentials for Intermolecular Interactions." Annual Review of Physical Chemistry 64, no. 1 (April 2013): 553–78. http://dx.doi.org/10.1146/annurev-physchem-040412-110031.

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8

Stone, Anthony J., Yuthana Tantirungrotechai, and A. David Buckingham. "The dielectric virial coefficient and model intermolecular potentials." Physical Chemistry Chemical Physics 2, no. 4 (2000): 429–34. http://dx.doi.org/10.1039/a905990c.

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9

Demidov, V. N. "Cluster Thermodynamic Model of Intermolecular Interactions in Liquids." Doklady Physical Chemistry 394, no. 1-3 (January 2004): 12–15. http://dx.doi.org/10.1023/b:dopc.0000014758.61409.5a.

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10

Jiang, Hao, Othonas A. Moultos, Ioannis G. Economou, and Athanassios Z. Panagiotopoulos. "Hydrogen-Bonding Polarizable Intermolecular Potential Model for Water." Journal of Physical Chemistry B 120, no. 48 (November 22, 2016): 12358–70. http://dx.doi.org/10.1021/acs.jpcb.6b08205.

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11

Røeggen, I. "An Extended Group Function Model for Intermolecular Interactions." Theoretical Chemistry Accounts 116, no. 4-5 (February 17, 2006): 683–90. http://dx.doi.org/10.1007/s00214-006-0114-4.

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12

Madura, Izabela. "Hierarchical model of molecular crystals." Acta Crystallographica Section A Foundations and Advances 70, a1 (August 5, 2014): C549. http://dx.doi.org/10.1107/s2053273314094509.

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Spatial arrangement of molecules in molecular crystals depends on properties of molecules building up the crystal, and in particular on the nature of interactions occurring between them. The knowledge about primary and subsequent interactions building up the 3D structure seems to be important in many aspects, just to mention crystal engineering and crystallization processes. If the only interactions between molecules are isotropic van der Waals interactions, the observed structure will resemble a close-packing arrangement. The presence of any directional interactions leads, in accordance to Kitaigorodsky's principles,[1] to the symmetry breaking of the close-packing structure, and resulting crystal exhibits hierarchical organization. The presentation will discuss consequences of directional intermolecular interactions and their impact on generation and organization of successive levels of the hierarchical architecture in crystals. The strategy for identification, analysis and hierarchization of weak intermolecular interactions will also be presented. Selected examples will serve to illustrate usefulness of the proposed model for the discussion on molecular symmetry, supramolecular synthons' equivalency, polymorphism, isomorphism or packing.
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13

Ren, Hai-Chao, Lin-Xiang Ji, Tu-Nan Chen, Xian-Zhen Jia, Rui-Peng Liu, Xiu-Qing Zhang, Dong-Qing Wei, Xiao-Feng Wang, and Guang-Fu Ji. "Intermolecular Vibration Energy Transfer Process in Two CL-20-Based Cocrystals Theoretically Revealed by Two-Dimensional Infrared Spectra." Molecules 27, no. 7 (March 26, 2022): 2153. http://dx.doi.org/10.3390/molecules27072153.

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Inspired by the recent cocrystallization and theory of energetic materials, we theoretically investigated the intermolecular vibrational energy transfer process and the non-covalent intermolecular interactions between explosive compounds. The intermolecular interactions between 2,4,6-trinitrotoluene (TNT) and 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) and between 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX) and CL-20 were studied using calculated two-dimensional infrared (2D IR) spectra and the independent gradient model based on the Hirshfeld partition (IGMH) method, respectively. Based on the comparison of the theoretical infrared spectra and optimized geometries with experimental results, the theoretical models can effectively reproduce the experimental geometries. By analyzing cross-peaks in the 2D IR spectra of TNT/CL-20, the intermolecular vibrational energy transfer process between TNT and CL-20 was calculated, and the conclusion was made that the vibrational energy transfer process between CL-20 and TNTII (TNTIII) is relatively slower than between CL-20 and TNTI. As the vibration energy transfer is the bridge of the intermolecular interactions, the weak intermolecular interactions were visualized using the IGMH method, and the results demonstrate that the intermolecular non-covalent interactions of TNT/CL-20 include van der Waals (vdW) interactions and hydrogen bonds, while the intermolecular non-covalent interactions of HMX/CL-20 are mainly comprised of vdW interactions. Further, we determined that the intermolecular interaction can stabilize the trigger bond in TNT/CL-20 and HMX/CL-20 based on Mayer bond order density, and stronger intermolecular interactions generally indicate lower impact sensitivity of energetic materials. We believe that the results obtained in this work are important for a better understanding of the cocrystal mechanism and its application in the field of energetic materials.
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14

Li, Xianshun, and E. B. Sedakova. "Molecular-dynamic modeling applied for analysis of composite wear resistance increasing as compared with the original polymer matrix." Voprosy Materialovedeniya, no. 1(109) (April 20, 2022): 126–33. http://dx.doi.org/10.22349/1994-6716-2020-106-2-126-13.

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The influence of filling on the mechanical properties of polytetrafluoroethylene (PTFE) was inves- tigated by molecular dynamic modeling. Molecular models of PTFE and its composite F4K20 were built. Energy values of intermolecular interaction were determined, stiffness and flexibility matrices of PTFE and F4K20 were obtained. It was shown that energy of intermolecular interaction of F4K20 is approximately 15 times higher in comparison with energy of intermolecular interaction of PTFE. Calculation based on model- ing showed that the introduction of the filler leads to a significant increase in the composite shear modulus in comparison with the initial matrix, which may be the reason of wear resistance increasing of polymer compo- sites.
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15

de Araujo Oliveira, Alan Leone, Luiz Guilherme Machado de Macedo, Yuri Alves de Oliveira Só, João Batista Lopes Martins, Fernando Pirani, and Ricardo Gargano. "Nature and role of the weak intermolecular bond in enantiomeric conformations of H2O2–noble gas adducts: a chiral prototypical model." New Journal of Chemistry 45, no. 18 (2021): 8240–47. http://dx.doi.org/10.1039/d0nj06135b.

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The role and nature of the weak intermolecular bond in the H2O2–noble gas enantiomeric conformations are presented. Charge transfer associated with the formation of a weak intermolecular hydrogen bond tends to stabilize the cis-barrier conformation.
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16

Ro/eggen, I. "Intermolecular potentials calculated by an extended geminal model: Theory." Journal of Chemical Physics 85, no. 1 (July 1986): 262–73. http://dx.doi.org/10.1063/1.451653.

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17

UEDA, Kohei, Yusuke SHINHASHI, and Toyoharu NAWA. "SWELLING MODEL OF MONTMORILLONITE IN CONSIDERATION OF INTERMOLECULAR FORCE." Cement Science and Concrete Technology 68, no. 1 (2014): 537–44. http://dx.doi.org/10.14250/cement.68.537.

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18

Irzhak, Vadim I., Gennadii V. Korolev, and Mikhail E. Solov'ev. "Intermolecular interaction in polymers and the physical network model." Russian Chemical Reviews 66, no. 2 (February 28, 1997): 167–86. http://dx.doi.org/10.1070/rc1997v066n02abeh000256.

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19

van Eijck, Lambert, Mark R. Johnson, and Gordon J. Kearley. "Intermolecular Interactions in Bithiophene as a Model for Polythiophene." Journal of Physical Chemistry A 107, no. 42 (October 2003): 8980–84. http://dx.doi.org/10.1021/jp035254w.

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20

Murad, S., K. A. Mansour, and J. G. Powles. "A model intermolecular potential for hydrogen fluoride including polarizability." Chemical Physics Letters 131, no. 1-2 (October 1986): 98–102. http://dx.doi.org/10.1016/0009-2614(86)80524-3.

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21

Monago, K. O., and O. T. Dawodu. "Intermolecular model potentials and virial coefficients from acoustic data." Journal of Applied Sciences and Environmental Management 22, no. 2 (March 8, 2018): 246. http://dx.doi.org/10.4314/jasem.v22i2.16.

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22

Bratko, D., L. Blum, and A. Luzar. "A simple model for the intermolecular potential of water." Journal of Chemical Physics 83, no. 12 (December 15, 1985): 6367–70. http://dx.doi.org/10.1063/1.449585.

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23

Teegarden, D. M., and C. J. T. Landry. "Intermolecular interactions in substituted phenols. Investigation of model compounds." Journal of Polymer Science Part B: Polymer Physics 33, no. 13 (September 30, 1995): 1933–43. http://dx.doi.org/10.1002/polb.1995.090331309.

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24

Adams, William H. "Intermolecular perturbation theory applied to an exactly solvable model." International Journal of Quantum Chemistry 90, no. 1 (2002): 54–62. http://dx.doi.org/10.1002/qua.977.

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25

Bond, Andrew D. "processPIXEL: a program to generate energy-vector models from Gavezzotti'sPIXELcalculations." Journal of Applied Crystallography 47, no. 5 (September 4, 2014): 1777–80. http://dx.doi.org/10.1107/s1600576714016446.

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A command-line program is presented to convert the output from Gavezzotti'sPIXELcalculations to Shishkin's energy-vector models representing the intermolecular interaction topology. The output models comprise sets of vectors joining the centres of the molecules in a crystal structure, scaled so that the vector representing the most stabilizing pairwise interaction has length equal to half of the corresponding intermolecular separation. When the energy-vector model is packed, the most stabilizing pairwise interaction is represented as a continuous line between interacting molecules, while the other intermolecular interactions are shown as discontinuous lines, with a smaller gap representing a more stabilizing interaction. The energy-vector models can be overlaid on the crystal structure using theMercuryvisualizer to enable convenient visualization of structural motifs that contribute significantly to the overall crystal packing energy.
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26

WEXLER, CARLOS, CINTIA M. LAPILLI, and PETER PFEIFER. "AN EXTENDED CONCEPT OF UNIVERSALITY IN A STATISTICAL MECHANICS MODEL." International Journal of Modern Physics B 20, no. 30n31 (December 20, 2006): 5272–79. http://dx.doi.org/10.1142/s0217979206036363.

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Nature uses phase transitions as powerful regulators of processes ranging from climate to the alteration of phase behavior of cell membranes, building on the fact that thermodynamic properties of a solid, liquid, or gas are sensitive fingerprints of intermolecular interactions. The only known exceptions from this sensitivity are critical points, where two phases become indistinguishable and thermodynamic properties exhibit universal behavior: systems with widely different intermolecular interactions behave identically. Here we report a new, stronger form of universality, in which different members of a family of two-dimensional systems—the discrete p-state clock model—behave identically both near and away from critical points, if the temperature exceeds a value Teu ('extended universality). We show that all thermal averages are identical to those of the continuous planar rotor model (p = ∞) above Teu, that phase transitions above Teu are identical to the Berezinskii-Kosterlita-Thouless (BKT) transition, and that transitions below Teu are distinctly non-BKT. The results generate a comprehensive map of the three phases of the model and, by virtue of the discrete rotors behaving like continuous rotors, an emergent symmetry, not present in the Hamiltonian. This symmetry, or many-to-one map of intermolecular interactions onto thermodynamic states, demonstrates previously unknown limits for macroscopic distinguishability of different microscopic interactions.
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27

Peng, Jian She, Guang Bing Luo, Liu Yang, and Jie Yang. "Pull-in Instability Behaviour of Nanoscale Actuators Using Nonlocal Elasticity Theory." Advanced Materials Research 468-471 (February 2012): 2755–58. http://dx.doi.org/10.4028/www.scientific.net/amr.468-471.2755.

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This paper modified the linear distributed load (LDL) model for cantilever nano-beams . A linear load model which suits boundary conditions was proposed to approximate with nonlinear intermolecular and electrostatic interactions. In the modified LDL model, under considerating the effect of the small scale, the pull-in instability behaviour of nano-actuators subjected to an electrostatic force and intermolecular force had been investigated. The results showed that the modified LDL model is more consistent with the actual situation than LDL model.
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28

Chiu, Shuo-Feng, and Sheng Chao. "Coarse-Grained Simulations Using a Multipolar Force Field Model." Materials 11, no. 8 (July 31, 2018): 1328. http://dx.doi.org/10.3390/ma11081328.

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This paper presents a coarse-grained molecular simulation for fullerenes based on a multipolar expansion method developed previously. The method is enabled by the construction of transferable united atoms potentials that approximate the full atomistic intermolecular interactions, as obtained from ab initio electronic structure calculations supplemented by empirical force fields and experimental data, or any combination of the above. The resultant series contains controllable moment tensors that allow to estimate the errors, and approaches the all-atom intermolecular potential as the expansion order increases. We can compute the united atoms potentials very efficiently with a few interaction moment tensors, in order to implement a parallel algorithm on molecular interactions. Our simulations describe the mechanism for the condensation of fullerenes, and they produce excellent agreement with benchmark fully atomistic molecular dynamics simulations.
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29

Park, Chulwoo, Ferlin Robinson, and Daejoong Kim. "On the Choice of Different Water Model in Molecular Dynamics Simulations of Nanopore Transport Phenomena." Membranes 12, no. 11 (November 7, 2022): 1109. http://dx.doi.org/10.3390/membranes12111109.

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The water transport through nanoporous multilayered graphene at 300k is investigated using molecular dynamics (MD) simulation with different water models in this study. We used functionalized and non-functionalized membranes along with five different 3-point rigid water models: SPC (simple point charge), SPC/E (extended simple point charge), TIP3P-FB (transferable intermolecular potential with 3 points—Force Balance), TIP3P-EW (transferable intermolecular potential with 3 points with Ewald summation) and OPC3 (3-point optimal point charge) water models. Based on our simulations with two water reservoirs and a porous multilayered graphene membrane in-between them, it is evident that the water transport varies significantly depending on the water model used, which is in good agreement with previous works. This study contributes to the selection of a water model for molecular dynamics simulations of water transport through multilayered porous graphene.
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30

Matienko, L. I., V. I. Binyukov, E. M. Mil, and G. E. Zaikov. "Supramolecular Macrostructures in the Mechanisms of Catalysis with Nickel or Iron Heteroligand Complexes." Current Organocatalysis 6, no. 1 (April 24, 2019): 36–43. http://dx.doi.org/10.2174/2213337206666181231120410.

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Background: The AFM-techniques have been used for the research of the role of intermolecular H-bonds and stable supramolecular nanostructures, based on effective catalysts of oxidation processes, which are also models of Ni(Fe)ARD Dioxygenases, in mechanisms of catalysis. Methods and Results: The role of Histidine and Tyrosine ligands in the mechanisms of catalysis by FeARD on model systems is discussed based on AFM and UV-Spectroscopy data. Conclusion: We first offer the new approach – method of atomic force microscopy (AFM) – to study the possibility of the formation of supramolecular nanostructures, and also for assessing of role the intermolecular hydrogen bonds (and the other intermolecular non-covalent interactions) in mechanisms of homogeneous and enzymatic catalysis with nickel and iron complexes.
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31

Pusara, Srdjan, Peyman Yamin, Wolfgang Wenzel, Marjan Krstić, and Mariana Kozlowska. "A coarse-grained xDLVO model for colloidal protein–protein interactions." Physical Chemistry Chemical Physics 23, no. 22 (2021): 12780–94. http://dx.doi.org/10.1039/d1cp01573g.

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Shape-based coarse graining of proteins permits anisotropic intermolecular interactions modulating protein solubility. Together with the ion–protein dispersion, it allows the calculation of the B22 coefficients without experimental fitting.
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32

Grewell, David, and Avraham Benatar. "Semi-empirical, squeeze flow and intermolecular diffusion model. I. Determination of model parameters." Polymer Engineering & Science 48, no. 5 (2008): 860–67. http://dx.doi.org/10.1002/pen.21021.

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33

Grewell, David, and Avraham Benatar. "Semiempirical, squeeze flow, and intermolecular diffusion model. II. Model verification using laser microwelding." Polymer Engineering & Science 48, no. 8 (August 2008): 1542–49. http://dx.doi.org/10.1002/pen.21127.

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34

Mu, Yan, and Meng Yu. "Effects of hydrophobic interaction strength on the self-assembled structures of model peptides." Soft Matter 10, no. 27 (2014): 4956–65. http://dx.doi.org/10.1039/c4sm00378k.

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35

Zerda, T. W., X. Song, and J. Jonas. "Raman Study of Intermolecular Interactions in Supercritical Solutions of Naphthalene in CO2." Applied Spectroscopy 40, no. 8 (November 1986): 1194–99. http://dx.doi.org/10.1366/0003702864507657.

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The high-pressure Raman spectra of the v1 and 2 v2 Fermi doublet of CO2 and the C-H stretching, C-H bending and C-C-C breathing modes of naphthalene have been studied at pressures varying up to 2000 bar and temperatures between 60 and 90°C. The naphthalene bands show a blue frequency shift with increasing density, whereas a red shift for the Fermi resonance free stretching mode of CO2 is observed with increasing density. The blue shift is explained in terms of repulsive interactions probed by the naphthalene vibrations, while the red shift is related to the attractive forces dominating in the intermolecular potential as seen by the CO2 stretching mode. The experimental results support the validity of the site-to-site model of intermolecular potential. The intermolecular potential between naphthalene and CO2 is assumed to be anisotropic, and the proposed electrostatic quadrupole-quadrupole model of these interactions effectively explains the anisotropy in the intermolecular potential, the energy of association, and the frequency shifts.
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36

Kim, Taehyung, Kyoungsei Choi, and Won Ho Jo. "A Stochastic Dynamics Simulation of Viscoelastic Properties of Polymer Blends: Intermolecular Interaction Effects." Journal of Polymer Engineering 18, no. 1-2 (March 1, 1998): 1–16. http://dx.doi.org/10.1515/polyeng-1998-1-203.

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Abstract Stochastic dynamics simulations were performed to investigate the viscoelastic properties of polymer blends. In this simulation, three model systems with different intermolecular interactions are used to examine the effect of intermolecular interaction on the viscoelastic properties of polymer blends. Structural information such as the radius of gyration, orientation factor and radial distribution function of polymers is calculated from computer simulations as a function of shear rate and then is related to simulated viscoelastic properties of polymer blends. The effect of intermolecular interaction on the viscosity becomes different depending upon the magnitude of shear rate. At lower shear rate regions, more attractive intermolecular interaction results in lower viscosity due to chain stretching. But, at higher shear rate regions, more attractive interaction results in higher viscosity due to more dense packing of chains induced by the intermolecular attraction.
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37

Kilinkissa, Ornella E. Y., Krishna K. Govender, and Nikoletta B. Báthori. "Melting point–solubility–structure correlations in chiral and racemic model cocrystals." CrystEngComm 22, no. 16 (2020): 2766–71. http://dx.doi.org/10.1039/d0ce00014k.

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Comparison of chiral and racemic binary cocrystals showed that the chiral building block limits the formation of certain intermolecular interactions, decreases the packing efficiency, lowers the melting point and increases aqueous solubility.
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38

Prill, Dragica, Pavol Juhás, Martin U. Schmidt, and Simon J. L. Billinge. "Modelling pair distribution functions (PDFs) of organic compounds: describing both intra- and intermolecular correlation functions in calculated PDFs." Journal of Applied Crystallography 48, no. 1 (January 30, 2015): 171–78. http://dx.doi.org/10.1107/s1600576714026454.

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The methods currently used to calculate atomic pair distribution functions (PDFs) from organic structural models do not distinguish between the intramolecular and intermolecular distances. Owing to the stiff bonding between atoms within a molecule, the PDF peaks arising from intramolecular atom–atom distances are much sharper than those of the intermolecular atom–atom distances. This work introduces a simple approach to calculate PDFs of molecular systems without building a supercell model by using two different isotropic displacement parameters to describe atomic motion: one parameter is used for the intramolecular, the other one for intermolecular atom–atom distances. Naphthalene, quinacridone and paracetamol were used as examples. Calculations were done with theDiffPy-CMIcomplex modelling infrastructure. The new modelling approach produced remarkably better fits to the experimental PDFs, confirming the higher accuracy of this method for organic materials.
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39

Spackman, Mark A., Patrick G. Byrom, Maria Alfredsson, and Kersti Hermansson. "Influence of intermolecular interactions on multipole-refined electron densities." Acta Crystallographica Section A Foundations of Crystallography 55, no. 1 (January 1, 1999): 30–47. http://dx.doi.org/10.1107/s0108767398007181.

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This work examines the effect of intermolecular interactions on molecular properties derived from simulated X-ray diffraction data. Model X-ray data are computed from a superposition of ab initio molecular electron densities in the crystal, as well as from periodic crystal Hartree–Fock electron densities, for the hydrogen-bonded systems ice VIII, formamide and urea, as well as the weakly bound acetylene. The effects of intermolecular interactions on the electron density are illustrated at both infinite and finite data resolution, and it is concluded that multipole models are capable of quantitative retrieval of the interaction density, despite the known shortcomings of the radial functions in the model. Multipole refinement reveals considerable enhancement of the molecular dipole moment for hydrogen-bonded crystals, and negligible change in molecular second moments. Electric field gradients at H nuclei are significantly reduced in magnitude upon hydrogen bonding, and this change is also faithfully represented by the rigid pseudoatom model.
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40

Mizutani, Wataru, Takao Ishida, and Hiroshi Tokumoto. "Lateral Conduction Model for Intermolecular Interaction of Self-Assembled Monolayers." Japanese Journal of Applied Physics 38, Part 1, No. 6B (June 30, 1999): 3892–96. http://dx.doi.org/10.1143/jjap.38.3892.

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41

Hasegawa, Taisuke, and Yoshitaka Tanimura. "A Polarizable Water Model for Intramolecular and Intermolecular Vibrational Spectroscopies." Journal of Physical Chemistry B 115, no. 18 (May 12, 2011): 5545–53. http://dx.doi.org/10.1021/jp111308f.

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42

Candori, P., D. Cappelletti, S. Falcinelli, F. Pirani, L. F. Roncaratti, F. Tarantelli, and F. Vecchiocattivi. "Benchmarking a model potential for the investigation of intermolecular interactions." Physica Scripta 78, no. 3 (August 22, 2008): 038102. http://dx.doi.org/10.1088/0031-8949/78/03/038102.

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43

Kano, Toshiharu, Kiyoshi Nishikawa, and Shigeyuki Aono. "Use of Propagators in the Hückel Model. VIII. Intermolecular Interaction." Bulletin of the Chemical Society of Japan 60, no. 8 (August 1987): 2817–23. http://dx.doi.org/10.1246/bcsj.60.2817.

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44

Ro/eggen, I., J. Almlöf, G. Reza Ahmadi, and P. A. Wind. "An accurate computational model for the study of intermolecular interactions." Journal of Chemical Physics 102, no. 18 (May 8, 1995): 7088–94. http://dx.doi.org/10.1063/1.469102.

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45

Errington, Jeffrey R., and Athanassios Z. Panagiotopoulos. "A New Intermolecular Potential Model for then-Alkane Homologous Series." Journal of Physical Chemistry B 103, no. 30 (July 1999): 6314–22. http://dx.doi.org/10.1021/jp990988n.

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46

Hua, Wei, Bo Liu, Shengkai Yu, and Weidong Zhou. "Probability Model for the intermolecular force with surface roughness considered." Tribology International 40, no. 7 (July 2007): 1047–55. http://dx.doi.org/10.1016/j.triboint.2006.10.002.

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47

Sagarik, Kritsana, and Prapasri Asawakun. "Intermolecular potential for phenol based on the test particle model." Chemical Physics 219, no. 2-3 (July 1997): 173–91. http://dx.doi.org/10.1016/s0301-0104(97)00094-3.

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48

Romero, José Antonio Mejías, and Javier Fernández Sanz. "Abinitiogroup model potentials: Application to the study of intermolecular interactions." Journal of Chemical Physics 99, no. 2 (July 15, 1993): 1255–61. http://dx.doi.org/10.1063/1.465369.

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49

Ro/eggen, I., G. Reza Ahmadi, and P. A. Wind. "Intermolecular potentials calculated by an extended group function model: Theory." Journal of Chemical Physics 99, no. 1 (July 1993): 277–85. http://dx.doi.org/10.1063/1.465804.

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50

Lavalle, N., S. A. Lee, and L. S. Flox. "Lattice-dynamical model of crystalline DNA: Intermolecular bonds and theAtoBtransition." Physical Review A 43, no. 6 (March 1, 1991): 3126–30. http://dx.doi.org/10.1103/physreva.43.3126.

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