Статті в журналах з теми "Atomic and molecular modeling"
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Dubernet, M. L., C. M. Zwölf, N. Moreau, and Y. A. Ba. "Atomic and Molecular Databases, VAMDC." Proceedings of the International Astronomical Union 11, A29A (August 2015): 347–48. http://dx.doi.org/10.1017/s1743921316003252.
Повний текст джерелаGoldenstein, Christopher S., Victor A. Miller, R. Mitchell Spearrin, and Christopher L. Strand. "SpectraPlot.com: Integrated spectroscopic modeling of atomic and molecular gases." Journal of Quantitative Spectroscopy and Radiative Transfer 200 (October 2017): 249–57. http://dx.doi.org/10.1016/j.jqsrt.2017.06.007.
Повний текст джерелаZavodinskii, V. G., and E. A. Mikhailenko. "Modeling of carbon combustion in molecular and atomic oxygen." Combustion, Explosion, and Shock Waves 42, no. 3 (May 2006): 247–53. http://dx.doi.org/10.1007/s10573-006-0047-1.
Повний текст джерелаvan Dishoeck, Ewine F. "Atomic and Molecular Data for Diffuse Cloud Chemistry." Highlights of Astronomy 8 (1989): 323–30. http://dx.doi.org/10.1017/s1539299600007942.
Повний текст джерелаBalaban, Alexandru T. "Local versus Global (i.e. Atomic versus Molecular) Numerical Modeling of Molecular Graphs." Journal of Chemical Information and Modeling 34, no. 2 (March 1, 1994): 398–402. http://dx.doi.org/10.1021/ci00018a028.
Повний текст джерелаLei, Xue, and Anatoly F. Zatsepin. "First principles modeling of molecular adsorption on InSe-monolayer." Emerging Materials Research 12, no. 4 (December 1, 2023): 1–7. http://dx.doi.org/10.1680/jemmr.22.00216.
Повний текст джерелаMurakami, Izumi, and Takako Kato. "NIFS Atomic Numerical Databases." Highlights of Astronomy 13 (2005): 672–73. http://dx.doi.org/10.1017/s1539299600016804.
Повний текст джерелаStevens, Kyle, Thien Tran-Duc, Ngamta Thamwattana, and James M. Hill. "Modeling Interactions between Graphene and Heterogeneous Molecules." Computation 8, no. 4 (December 21, 2020): 107. http://dx.doi.org/10.3390/computation8040107.
Повний текст джерелаCatlow, C. R. A. "Computer modeling in materials chemistry." Pure and Applied Chemistry 77, no. 8 (January 1, 2005): 1345–48. http://dx.doi.org/10.1351/pac200577081345.
Повний текст джерелаChen, Jingrun, and Pingbing Ming. "An Efficient Multigrid Method for Molecular Mechanics Modeling in Atomic Solids." Communications in Computational Physics 10, no. 1 (July 2011): 70–89. http://dx.doi.org/10.4208/cicp.270910.131110a.
Повний текст джерелаHavrysh, Oleh H., Vladyslav Kholodovych, and Evgen A. Andreev. "Modeling of atomic-molecular structures by contiguous filling of space with Frank-Kasper atomic domains." Journal of Molecular Graphics and Modelling 90 (July 2019): 9–17. http://dx.doi.org/10.1016/j.jmgm.2019.03.004.
Повний текст джерелаWang, Shao Qing. "Atomic Modeling and Simulation of AlCoCrCuFeNi Multi-Principal-Element Alloy." Materials Science Forum 749 (March 2013): 479–83. http://dx.doi.org/10.4028/www.scientific.net/msf.749.479.
Повний текст джерелаYazawa, Hiroyuki, Akira Tonegawa, Masataka Ono, Takehisa Shibuya, and Kazutaka Kawamura. "Observation and Modeling of Molecular and Atomic Ions in Hydrogen Plasma." Japanese Journal of Applied Physics 45, no. 10B (October 24, 2006): 8208–11. http://dx.doi.org/10.1143/jjap.45.8208.
Повний текст джерелаBelikov, Sergey, and Sergei Magonov. "True Molecular-Scale Imaging in Atomic Force Microscopy: Experiment and Modeling." Japanese Journal of Applied Physics 45, no. 3B (March 27, 2006): 2158–65. http://dx.doi.org/10.1143/jjap.45.2158.
Повний текст джерелаDednam, W., C. Sabater, M. A. Fernandez, C. Untiedt, J. J. Palacios, and M. J. Caturla. "Modeling contact formation between atomic-sized gold tips via molecular dynamics." Journal of Physics: Conference Series 574 (January 21, 2015): 012045. http://dx.doi.org/10.1088/1742-6596/574/1/012045.
Повний текст джерелаChaney, Michael O., W. Blaine Stine, Tyler A. Kokjohn, Yu-Min Kuo, Chera Esh, Afroza Rahman, Dean C. Luehrs, et al. "RAGE and amyloid beta interactions: Atomic force microscopy and molecular modeling." Biochimica et Biophysica Acta (BBA) - Molecular Basis of Disease 1741, no. 1-2 (June 2005): 199–205. http://dx.doi.org/10.1016/j.bbadis.2005.03.014.
Повний текст джерелаShtablavyi, I., N. Popilovskyi, Yu Nykyruy, and S. Mudry. "Selective laser sintering of amorphous nanoparticles: Molecular dynamics simulations." Physics and Chemistry of Solid State 25, no. 1 (February 4, 2024): 5–13. http://dx.doi.org/10.15330/pcss.25.1.5-13.
Повний текст джерелаBehdinan, Kamran, Yigui Xu, and Zouheir Fawaz. "MOLECULAR ELEMENT METHOD (MEM) FOR MULTI-SCALE MODELING AND SIMULATIONS OF NANO/MICRO-SYSTEMS." Transactions of the Canadian Society for Mechanical Engineering 29, no. 3 (September 2005): 403–21. http://dx.doi.org/10.1139/tcsme-2005-0025.
Повний текст джерелаNamba, Yoshiharu, Jin Yu, Jean M. Bennett, and Koujun Yamashita. "Modeling and measurements of atomic surface roughness." Applied Optics 39, no. 16 (June 1, 2000): 2705. http://dx.doi.org/10.1364/ao.39.002705.
Повний текст джерелаPietikäinen, Otso, Perttu Hämäläinen, Jaakko Lehtinen, and Antti J. Karttunen. "VRChem: A Virtual Reality Molecular Builder." Applied Sciences 11, no. 22 (November 15, 2021): 10767. http://dx.doi.org/10.3390/app112210767.
Повний текст джерелаSrećković, Vladimir A., Darko Jevremović, Veljko Vujčić, Ljubinko M. Ignjatović, Nenad Milovanović, Sanja Erkapić, and Milan S. Dimitrijević. "Mol-D a Database and a Web Service within the Serbian Virtual Observatory and the Virtual Atomic and Molecular Data Centre." Proceedings of the International Astronomical Union 12, S325 (October 2016): 393–96. http://dx.doi.org/10.1017/s1743921316012643.
Повний текст джерелаMishin, Yuri M. "Atomistic Computer Modeling of Intermetallic Alloys." Materials Science Forum 502 (December 2005): 21–26. http://dx.doi.org/10.4028/www.scientific.net/msf.502.21.
Повний текст джерелаAmyot, Romain, Arin Marchesi, Clemens M. Franz, Ignacio Casuso, and Holger Flechsig. "Simulation atomic force microscopy for atomic reconstruction of biomolecular structures from resolution-limited experimental images." PLOS Computational Biology 18, no. 3 (March 16, 2022): e1009970. http://dx.doi.org/10.1371/journal.pcbi.1009970.
Повний текст джерелаDiemer, Benedikt, Adam R. H. Stevens, John C. Forbes, Federico Marinacci, Lars Hernquist, Claudia del P. Lagos, Amiel Sternberg, et al. "Modeling the Atomic-to-molecular Transition in Cosmological Simulations of Galaxy Formation." Astrophysical Journal Supplement Series 238, no. 2 (October 23, 2018): 33. http://dx.doi.org/10.3847/1538-4365/aae387.
Повний текст джерелаRomine, Devon, and Ridwan Sakidja. "Modeling atomic layer deposition of alumina using reactive force field molecular dynamics." MRS Advances 7, no. 9 (April 2022): 185–89. http://dx.doi.org/10.1557/s43580-022-00271-w.
Повний текст джерелаLoukhovitski, B. I., and A. M. Starik. "Modeling of vibration–electronic–chemistry coupling in the atomic–molecular oxygen system." Chemical Physics 360, no. 1-3 (June 2009): 18–26. http://dx.doi.org/10.1016/j.chemphys.2009.04.003.
Повний текст джерелаGoh, Boon Chong, Juan R. Perilla, Matthew R. England, Katrina J. Heyrana, Rebecca C. Craven, and Klaus Schulten. "Atomic Modeling of an Immature Retroviral Lattice Using Molecular Dynamics and Mutagenesis." Structure 23, no. 8 (August 2015): 1414–25. http://dx.doi.org/10.1016/j.str.2015.05.017.
Повний текст джерелаPaes, Lilian W., Roberto B. Faria, Juan O. Machuca-Herrera, Ademir Neves, and Sérgio P. Machado. "Molecular modeling utilizing purple acid phosphatase biomimetic models." Canadian Journal of Chemistry 82, no. 11 (November 1, 2004): 1619–24. http://dx.doi.org/10.1139/v04-134.
Повний текст джерелаMendoza, Claudio, Manuel A. Bautista, Jérôme Deprince, Javier A. García, Efraín Gatuzz, Thomas W. Gorczyca, Timothy R. Kallman, Patrick Palmeri, Pascal Quinet, and Michael C. Witthoeft. "The XSTAR Atomic Database." Atoms 9, no. 1 (February 5, 2021): 12. http://dx.doi.org/10.3390/atoms9010012.
Повний текст джерелаAyoola, Oluwasegun M., Alper Buldum, Siamak Farhad, and Sammy A. Ojo. "A Review on the Molecular Modeling of Argyrodite Electrolytes for All-Solid-State Lithium Batteries." Energies 15, no. 19 (October 4, 2022): 7288. http://dx.doi.org/10.3390/en15197288.
Повний текст джерелаSeidler, Tomasz, Marlena Gryl, Benoît Champagne, and Katarzyna Stadnicka. "Modeling of the optical properties of molecular crystals." Acta Crystallographica Section A Foundations and Advances 70, a1 (August 5, 2014): C384. http://dx.doi.org/10.1107/s2053273314096156.
Повний текст джерелаKunene, Thokozane Justin, Lagouge Kwanda Tartibu, Sina Karimzadeh, Peter Ozaveshe Oviroh, Kingsley Ukoba, and Tien-Chien Jen. "Molecular Dynamics of Atomic Layer Deposition: Sticking Coefficient Investigation." Applied Sciences 12, no. 4 (February 19, 2022): 2188. http://dx.doi.org/10.3390/app12042188.
Повний текст джерелаLaas, Jacob C., and Paola Caselli. "Modeling sulfur depletion in interstellar clouds." Astronomy & Astrophysics 624 (April 2019): A108. http://dx.doi.org/10.1051/0004-6361/201834446.
Повний текст джерелаBacchini, Cecilia, Matilde Mingozzi, Bianca M. Poggianti, Alessia Moretti, Marco Gullieuszik, Antonino Marasco, Bernardo Cervantes Sodi, et al. "3D Modeling of the Molecular Gas Kinematics in Optically Selected Jellyfish Galaxies." Astrophysical Journal 950, no. 1 (June 1, 2023): 24. http://dx.doi.org/10.3847/1538-4357/acc9b9.
Повний текст джерелаHryc, Corey F., and Matthew L. Baker. "Beyond the Backbone: The Next Generation of Pathwalking Utilities for Model Building in CryoEM Density Maps." Biomolecules 12, no. 6 (June 2, 2022): 773. http://dx.doi.org/10.3390/biom12060773.
Повний текст джерелаYan, Liuming, and Jorge M. Seminario. "Moletronics modeling toward molecular potentials." International Journal of Quantum Chemistry 106, no. 8 (2006): 1964–69. http://dx.doi.org/10.1002/qua.20949.
Повний текст джерелаStacey, Weston M., and Edward W. Thomas. "Sensitivity of Predicted Tokamak Physics Parameters to Divertor Atomic/Molecular Data and Modeling." Fusion Technology 39, no. 1 (January 2001): 18–26. http://dx.doi.org/10.13182/fst01-a147.
Повний текст джерелаWierzbicki, A., C. S. Sikes, J. D. Madura, and B. Drake. "Atomic force microscopy and molecular modeling of protein and peptide binding to calcite." Calcified Tissue International 54, no. 2 (February 1994): 133–41. http://dx.doi.org/10.1007/bf00296064.
Повний текст джерелаSmith, Nicholas, Brandon Campbell, Lin Li, Chuan Li, and Emil Alexov. "Protein Nano-Object Integrator (ProNOI) for generating atomic style objects for molecular modeling." BMC Structural Biology 12, no. 1 (2012): 31. http://dx.doi.org/10.1186/1472-6807-12-31.
Повний текст джерелаWang, Jennifer J., Tonglei Li, Simon D. Bateman, Robert Erck, and Kenneth R. Morris. "Modeling of Adhesion in Tablet Compression—I. Atomic Force Microscopy and Molecular Simulation." Journal of Pharmaceutical Sciences 92, no. 4 (April 2003): 798–814. http://dx.doi.org/10.1002/jps.10339.
Повний текст джерелаPiron, Robin. "Atomic Models of Dense Plasmas, Applications, and Current Challenges." Atoms 12, no. 4 (April 17, 2024): 26. http://dx.doi.org/10.3390/atoms12040026.
Повний текст джерелаSare, Hadarou, and Dongmei Dong. "Novel High-Strength and High-Temperature Resistant Composite Material for In-Space Optical Mining Applications: Modeling, Design, and Simulation at the Polymer and Atomic/Molecular Levels." Materials 17, no. 19 (September 26, 2024): 4723. http://dx.doi.org/10.3390/ma17194723.
Повний текст джерелаMiner, Jacob C., Anna Lappala, Paul W. Fenimore, William M. Fischer, Benjamin H. McMahon, Nicolas W. Hengartner, Karissa Y. Sanbonmatsu, and Chang-Shung Tung. "Modeling the Influenza A NP-vRNA-Polymerase Complex in Atomic Detail." Biomolecules 11, no. 1 (January 19, 2021): 124. http://dx.doi.org/10.3390/biom11010124.
Повний текст джерелаErshova, Maria O., Amir Taldaev, Petr V. Konarev, Georgy S. Peters, Anastasia A. Valueva, Irina A. Ivanova, Sergey V. Kraevsky, et al. "Selection of Aptamers for Use as Molecular Probes in AFM Detection of Proteins." Biomolecules 13, no. 12 (December 12, 2023): 1776. http://dx.doi.org/10.3390/biom13121776.
Повний текст джерелаOleynichenko, Alexander V., Andréi Zaitsevskii, Leonid V. Skripnikov, and Ephraim Eliav. "Relativistic Fock Space Coupled Cluster Method for Many-Electron Systems: Non-Perturbative Account for Connected Triple Excitations." Symmetry 12, no. 7 (July 2, 2020): 1101. http://dx.doi.org/10.3390/sym12071101.
Повний текст джерелаKhaliullin, I. G., D. K. Nilov, I. V. Shapovalova, and V. K. Švedas. "Construction of a Full-Atomic Mechanistic Model of Human Apurinic/Apyrimidinic Endonuclease APE1 for Virtual Screening of Novel Inhibitors." Acta Naturae 4, no. 2 (June 15, 2012): 80–86. http://dx.doi.org/10.32607/20758251-2012-4-2-80-86.
Повний текст джерелаKhaliullin, I. G., D. K. Nilov, I. V. Shapovalova, and V. K. Švedas. "Construction of a Full-Atomic Mechanistic Model of Human Apurinic/Apyrimidinic Endonuclease APE1 for Virtual Screening of Novel Inhibitors." Acta Naturae 4, no. 2 (June 15, 2012): 80–86. http://dx.doi.org/10.32607/actanaturae.10648.
Повний текст джерелаYang, Xiao Jing, and Xiao Jiang Yang. "Molecular Dynamics Simulation of Nanoscale Contact Process of Plane on Plane." Advanced Materials Research 662 (February 2013): 122–26. http://dx.doi.org/10.4028/www.scientific.net/amr.662.122.
Повний текст джерелаVargas, Ernesto, Vladimir Yarov-Yarovoy, Fatemeh Khalili-Araghi, William A. Catterall, Michael L. Klein, Mounir Tarek, Erik Lindahl, et al. "An emerging consensus on voltage-dependent gating from computational modeling and molecular dynamics simulations." Journal of General Physiology 140, no. 6 (November 26, 2012): 587–94. http://dx.doi.org/10.1085/jgp.201210873.
Повний текст джерелаNg, Mei Ling, Zaidah binti Rahmat, and Mohd Shahir Shamsir bin Omar. "Molecular Modeling and Simulation of Transketolase from Orthosiphon stamineus." Current Computer-Aided Drug Design 15, no. 4 (July 1, 2019): 308–17. http://dx.doi.org/10.2174/1573409914666181022141753.
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