Artículos de revistas sobre el tema "Thermochemistry of Molecules and Processes - Computational Study"
Crea una cita precisa en los estilos APA, MLA, Chicago, Harvard y otros
Consulte los 50 mejores artículos de revistas para su investigación sobre el tema "Thermochemistry of Molecules and Processes - Computational Study".
Junto a cada fuente en la lista de referencias hay un botón "Agregar a la bibliografía". Pulsa este botón, y generaremos automáticamente la referencia bibliográfica para la obra elegida en el estilo de cita que necesites: APA, MLA, Harvard, Vancouver, Chicago, etc.
También puede descargar el texto completo de la publicación académica en formato pdf y leer en línea su resumen siempre que esté disponible en los metadatos.
Explore artículos de revistas sobre una amplia variedad de disciplinas y organice su bibliografía correctamente.
Holmes, John L., Karl J. Jobst y Johan K. Terlouw. "Small (Poly)Unsaturated Oxygen Containing Ions and Molecules: A Brief Assessment of Their Thermochemistry Based on Computational Chemistry". European Journal of Mass Spectrometry 15, n.º 2 (abril de 2009): 261–73. http://dx.doi.org/10.1255/ejms.959.
Texto completoChesnut, D. B. "Localization function study of excitation processes in a set of small isoelectronic molecules". Journal of Computational Chemistry 22, n.º 14 (2001): 1702–11. http://dx.doi.org/10.1002/jcc.1125.
Texto completoNAKANO, MASAYOSHI, RYOHEI KISHI, HITOSHI FUKUI, TAKUYA MINAMI, HIROSHI NAGAI, KYOHEI YONEDA, SEAN BONNESS y HIDEAKI TAKAHASHI. "THEORETICAL STUDY ON OPEN-SHELL NONLINEAR OPTICAL MOLECULAR SYSTEMS AND A DEVELOPMENT OF A NOVEL COMPUTATIONAL SCHEME OF EXCITON DYNAMICS". International Journal of Nanoscience 08, n.º 01n02 (febrero de 2009): 123–29. http://dx.doi.org/10.1142/s0219581x09005803.
Texto completoAbe, Shigeaki, Yoshinori Nagoya, Fumio Watari y Hiroto Tachikawa. "Evaporation processes of water molecules from graphene edge: DFT and MD study". Computational Materials Science 50, n.º 9 (julio de 2011): 2640–43. http://dx.doi.org/10.1016/j.commatsci.2011.04.009.
Texto completoPilling, S., G. A. Carvalho, H. A. de Abreu, B. R. L. Galvão, C. H. da Silveira y M. S. Mateus. "Understanding the Molecular Kinetics and Chemical Equilibrium Phase of Frozen CO during Bombardment by Cosmic Rays by Employing the PROCODA Code". Astrophysical Journal 952, n.º 1 (1 de julio de 2023): 17. http://dx.doi.org/10.3847/1538-4357/acdb4a.
Texto completoWohlwend, Jennifer L., Cosima N. Boswell, Simon R. Phillpot y Susan B. Sinnott. "A computational study of SrTiO3 thin film deposition: Morphology and growth modes". Journal of Materials Research 24, n.º 6 (junio de 2009): 1994–2000. http://dx.doi.org/10.1557/jmr.2009.0229.
Texto completoAbplanalp, Matthew J., Samer Gozem, Anna I. Krylov, Christopher N. Shingledecker, Eric Herbst y Ralf I. Kaiser. "A study of interstellar aldehydes and enols as tracers of a cosmic ray-driven nonequilibrium synthesis of complex organic molecules". Proceedings of the National Academy of Sciences 113, n.º 28 (5 de julio de 2016): 7727–32. http://dx.doi.org/10.1073/pnas.1604426113.
Texto completoOrmachea, Carla M., María Nélida Kneeteman y Pedro M. E. Mancini. "Diels–Alder Polar Reactions of Azaheterocycles: A Theoretical and Experimental Study". Organics 3, n.º 2 (22 de mayo de 2022): 102–10. http://dx.doi.org/10.3390/org3020008.
Texto completoFilion, Renee J. y Aleksander S. Popel. "Intracoronary administration of FGF-2: a computational model of myocardial deposition and retention". American Journal of Physiology-Heart and Circulatory Physiology 288, n.º 1 (enero de 2005): H263—H279. http://dx.doi.org/10.1152/ajpheart.00205.2004.
Texto completoShafranyosh, M. y D. Kish. "Processes of formation of positive ions at the electron - thymine molecule interactions". Bulletin of Taras Shevchenko National University of Kyiv. Series: Physics and Mathematics, n.º 2 (2019): 104–7. http://dx.doi.org/10.17721/1812-5409.2019/2.14.
Texto completoMoreno, Miquel, José M. Lluch y Ricard Gelabert. "On the Computational Design of Azobenzene-Based Multi-State Photoswitches". International Journal of Molecular Sciences 23, n.º 15 (4 de agosto de 2022): 8690. http://dx.doi.org/10.3390/ijms23158690.
Texto completoChen, Tao, Yi Luo y Aigen Li. "Fragmentation and isomerization of polycyclic aromatic hydrocarbons in the interstellar medium: Coronene as a case study". Astronomy & Astrophysics 633 (enero de 2020): A103. http://dx.doi.org/10.1051/0004-6361/201936873.
Texto completoSatoh, Akira. "Stability of Computational Algorithms Used in Molecular Dynamics Simulations". Journal of Fluids Engineering 117, n.º 3 (1 de septiembre de 1995): 531–34. http://dx.doi.org/10.1115/1.2817296.
Texto completoIzumi, Yukihiro, Ken-ichi Saitoh, Tomohiro Sato, Masanori Takuma y Yoshimasa Takahashi. "Shear Deterioration of the Hierarchical Structure of Cellulose Microfibrils under Water Condition: All-Atom Molecular Dynamics Analysis". Applied Mechanics 4, n.º 1 (19 de febrero de 2023): 230–47. http://dx.doi.org/10.3390/applmech4010013.
Texto completoBudziak, Iwona, Marta Arczewska y Daniel M. Kamiński. "Structure and Physical Properties of Cardamonin: A Spectroscopic and Computational Approach". Molecules 25, n.º 18 (6 de septiembre de 2020): 4070. http://dx.doi.org/10.3390/molecules25184070.
Texto completoRahmawati, Sitti, Cynthia Linaya Radiman, Muhamad Abdulkadir Martoprawiro, Siti Nuryanti, Pathuddin y Ahmad Ma'ruf. "Hydration and Proton Transfer Processes in Sulfonated Nata De Coco Membrane with Density Functional Theory". Key Engineering Materials 874 (enero de 2021): 58–66. http://dx.doi.org/10.4028/www.scientific.net/kem.874.58.
Texto completoCipriani, Maicol y Oddur Ingólfsson. "HF Formation through Dissociative Electron Attachment—A Combined Experimental and Theoretical Study on Pentafluorothiophenol and 2-Fluorothiophenol". International Journal of Molecular Sciences 23, n.º 5 (23 de febrero de 2022): 2430. http://dx.doi.org/10.3390/ijms23052430.
Texto completoBarone, Vincenzo y Cristina Puzzarini. "Looking for the bricks of the life in the interstellar medium: The fascinating world of astrochemistry". EPJ Web of Conferences 246 (2020): 00021. http://dx.doi.org/10.1051/epjconf/202024600021.
Texto completoLungu, Claudiu N., Violeta Mangalagiu, Ionel I. Mangalagiu y Mihaela C. Mehedinti. "Benzoquinoline Chemical Space: A Helpful Approach in Antibacterial and Anticancer Drug Design". Molecules 28, n.º 3 (20 de enero de 2023): 1069. http://dx.doi.org/10.3390/molecules28031069.
Texto completoAgamennone, Mariangela y Fabiana Superti. "Broad-Spectrum Activity of Small Molecules Acting against Influenza a Virus: Biological and Computational Studies". Pharmaceuticals 15, n.º 3 (28 de febrero de 2022): 301. http://dx.doi.org/10.3390/ph15030301.
Texto completoLuksys, Gediminas, Matthias Fastenrath, David Coynel, Virginie Freytag, Leo Gschwind, Angela Heck, Frank Jessen et al. "Computational dissection of human episodic memory reveals mental process-specific genetic profiles". Proceedings of the National Academy of Sciences 112, n.º 35 (10 de agosto de 2015): E4939—E4948. http://dx.doi.org/10.1073/pnas.1500860112.
Texto completoMathur, Melina, Joy S. Xiang y Christina D. Smolke. "Mammalian synthetic biology for studying the cell". Journal of Cell Biology 216, n.º 1 (8 de diciembre de 2016): 73–82. http://dx.doi.org/10.1083/jcb.201611002.
Texto completoWilliams, David y Serena Viti. "Modelling interstellar physics and chemistry: implications for surface and solid-state processes". Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 371, n.º 1994 (13 de julio de 2013): 20110587. http://dx.doi.org/10.1098/rsta.2011.0587.
Texto completoLichołai, Sabina, Dorota Studzińska, Hanna Plutecka, Tomasz Gubała y Marek Sanak. "Comprehensive Analysis of Circular RNAs in Endothelial Cells". International Journal of Molecular Sciences 24, n.º 12 (12 de junio de 2023): 10025. http://dx.doi.org/10.3390/ijms241210025.
Texto completoKumari, Archana, Medha Jyoti, Maneesh Kumar y Ratnesh Kumar. "Streptomyces tetracycline’s computational behavior against polyketide synthase of aflatoxigenic fungi". IP International Journal of Medical Microbiology and Tropical Diseases 9, n.º 2 (15 de julio de 2023): 85–91. http://dx.doi.org/10.18231/j.ijmmtd.2023.017.
Texto completoMEI, YE y JOHN Z. H. ZHANG. "NUMERICAL STABILITIES IN FITTING ATOMIC CHARGES TO ELECTRIC FIELD AND ELECTROSTATIC POTENTIAL". Journal of Theoretical and Computational Chemistry 08, n.º 05 (octubre de 2009): 925–42. http://dx.doi.org/10.1142/s0219633609005295.
Texto completovan der Hooft, Justin Johan Jozias, Joe Wandy, Michael P. Barrett, Karl E. V. Burgess y Simon Rogers. "Topic modeling for untargeted substructure exploration in metabolomics". Proceedings of the National Academy of Sciences 113, n.º 48 (16 de noviembre de 2016): 13738–43. http://dx.doi.org/10.1073/pnas.1608041113.
Texto completoLI, XIN y ZHONG-ZHI YANG. "AN AB INITIO STUDY OF PROTON-TRANSFER REACTION IN Be2+(H2O)n AND THE SPATIAL CHANGING FEATURE IN THE FORMATION PROCESS OF HYDROXIDE". Journal of Theoretical and Computational Chemistry 05, n.º 01 (marzo de 2006): 75–85. http://dx.doi.org/10.1142/s0219633606002064.
Texto completoKosyanchuk, Vasily y Artem Yakunchikov. "A detailed multiscale study of rotational–translational relaxation process of diatomic molecules". Physics of Fluids 33, n.º 2 (1 de febrero de 2021): 022003. http://dx.doi.org/10.1063/5.0037335.
Texto completoKim, Hongdeok, Byeonghwa Goh, Sol Lee, Kyujo Lee y Joonmyung Choi. "Computational Study on Interfacial Interactions between Polymethyl Methacrylate-Based Bone Cement and Hydroxyapatite in Nanoscale". Applied Sciences 11, n.º 7 (25 de marzo de 2021): 2937. http://dx.doi.org/10.3390/app11072937.
Texto completoKarmakar, Rajesh. "Noise in gene expression may be a choice of cellular system". International Journal of Modern Physics C 30, n.º 02n03 (febrero de 2019): 1950014. http://dx.doi.org/10.1142/s0129183119500141.
Texto completoYatskou, M. M. y V. V. Apanasovich. "Data analysis in complex biomolecular systems". Informatics 18, n.º 1 (29 de marzo de 2021): 105–22. http://dx.doi.org/10.37661/1816-0301-2021-18-1-105-122.
Texto completoQuast, Helmut, Georg Gescheidt y Martin Spichty. "Topological Dynamics of a Radical Ion Pair: Experimental and Computational Assessment at the Relevant Nanosecond Timescale". Chemistry 2, n.º 2 (31 de marzo de 2020): 219–30. http://dx.doi.org/10.3390/chemistry2020014.
Texto completoOnčák, Milan, Rebecca Meißner, Eugene Arthur-Baidoo, Stephan Denifl, Thomas F. M. Luxford, Andriy Pysanenko, Michal Fárník, Jiří Pinkas y Jaroslav Kočišek. "Ring Formation and Hydration Effects in Electron Attachment to Misonidazole". International Journal of Molecular Sciences 20, n.º 18 (6 de septiembre de 2019): 4383. http://dx.doi.org/10.3390/ijms20184383.
Texto completoPellegrino, Roberto Maria, Matteo Giulietti, Husam B. R. Alabed, Sandra Buratta, Lorena Urbanelli, Francesco Piva y Carla Emiliani. "LipidOne: user-friendly lipidomic data analysis tool for a deeper interpretation in a systems biology scenario". Bioinformatics 38, n.º 6 (31 de diciembre de 2021): 1767–69. http://dx.doi.org/10.1093/bioinformatics/btab867.
Texto completoRAMALHO, TEODORICO C., ELAINE F. F. DA CUNHA y RICARDO BICCA DE ALENCASTRO. "THEORETICAL STUDY OF ADIABATIC AND VERTICAL ELECTRON AFFINITY OF RADIOSENSITIZERS IN SOLUTION PART 2: ANALOGUES OF TIRAPAZAMINE". Journal of Theoretical and Computational Chemistry 03, n.º 01 (marzo de 2004): 1–13. http://dx.doi.org/10.1142/s0219633604000866.
Texto completoBukowski, Brandon C., Frerich J. Keil, Peter I. Ravikovitch, German Sastre, Randall Q. Snurr y Marc-Olivier Coppens. "Connecting theory and simulation with experiment for the study of diffusion in nanoporous solids". Adsorption 27, n.º 5 (22 de abril de 2021): 683–760. http://dx.doi.org/10.1007/s10450-021-00314-y.
Texto completoKumar, Rupesh, Maged Mostafa Mahmoud, Hanaa M. Tashkandi, Shafiul Haque, Steve Harakeh, Kalaiarasan Ponnusamy y Shazia Haider. "Combinatorial Network of Transcriptional and miRNA Regulation in Colorectal Cancer". International Journal of Molecular Sciences 24, n.º 6 (10 de marzo de 2023): 5356. http://dx.doi.org/10.3390/ijms24065356.
Texto completoRaval, Keval y Tejas Ganatra. "Basics, types and applications of molecular docking: A review". IP International Journal of Comprehensive and Advanced Pharmacology 7, n.º 1 (15 de marzo de 2022): 12–16. http://dx.doi.org/10.18231/j.ijcaap.2022.003.
Texto completoLEE, CHANYOUNG, JOAN T. RICHTSMEIER y REUBEN H. KRAFT. "A COMPUTATIONAL ANALYSIS OF BONE FORMATION IN THE CRANIAL VAULT USING A COUPLED REACTION–DIFFUSION-STRAIN MODEL". Journal of Mechanics in Medicine and Biology 17, n.º 04 (28 de mayo de 2017): 1750073. http://dx.doi.org/10.1142/s0219519417500737.
Texto completoIvan, Jeremias, Rizky Nurdiansyah y Arli Aditya Parikesit. "Computational modeling of AGO-mediated molecular inhibition of ARF6 by miR-145". Indonesian Journal of Biotechnology 25, n.º 2 (2 de diciembre de 2020): 102. http://dx.doi.org/10.22146/ijbiotech.55631.
Texto completoAyyadurai, V. A. Shiva y Prabhakar Deonikar. "Attenuation of Aging-Related Oxidative Stress Pathways by Phytonutrients: A Computational Systems Biology Analysis". Nutrients 15, n.º 17 (28 de agosto de 2023): 3762. http://dx.doi.org/10.3390/nu15173762.
Texto completoStefaniu, Amalia y Lucia Camelia Pirvu. "In Silico Study Approach on a Series of 50 Polyphenolic Compounds in Plants; A Comparison on the Bioavailability and Bioactivity Data". Molecules 27, n.º 4 (19 de febrero de 2022): 1413. http://dx.doi.org/10.3390/molecules27041413.
Texto completoAhmed, Aftab, Sajid-ur Rehman, Syeda Abida Ejaz, Aamer Saeed, Rabail Ujan, Pervaiz Ali Channar, Khalida Mahar et al. "Exploring 2-Tetradecanoylimino-3-aryl-4-methyl-1,3-thiazolines Derivatives as Alkaline Phosphatase Inhibitors: Biochemical Evaluation and Computational Analysis". Molecules 27, n.º 19 (10 de octubre de 2022): 6766. http://dx.doi.org/10.3390/molecules27196766.
Texto completoAsiedu, Seth O., Samuel K. Kwofie, Emmanuel Broni y Michael D. Wilson. "Computational Identification of Potential Anti-Inflammatory Natural Compounds Targeting the p38 Mitogen-Activated Protein Kinase (MAPK): Implications for COVID-19-Induced Cytokine Storm". Biomolecules 11, n.º 5 (29 de abril de 2021): 653. http://dx.doi.org/10.3390/biom11050653.
Texto completoSharma, Ashutosh, Paola Isabel Angulo Bejerano, Irais Castillo Maldonado, Marcos de Donato Capote, Alfredo Madariaga-Navarrete y Sujay Paul. "Genome-wide computational prediction and experimental validation of quinoa (Chenopodium quinoa) microRNAs". Canadian Journal of Plant Science 99, n.º 5 (1 de octubre de 2019): 666–75. http://dx.doi.org/10.1139/cjps-2018-0296.
Texto completoFerrero, Stefano, Stefano Pantaleone, Cecilia Ceccarelli, Piero Ugliengo, Mariona Sodupe y Albert Rimola. "Where Does the Energy Go during the Interstellar NH3 Formation on Water Ice? A Computational Study". Astrophysical Journal 944, n.º 2 (1 de febrero de 2023): 142. http://dx.doi.org/10.3847/1538-4357/acae8e.
Texto completoKappel, Kalli, Yinglong Miao y J. Andrew McCammon. "Accelerated molecular dynamics simulations of ligand binding to a muscarinic G-protein-coupled receptor". Quarterly Reviews of Biophysics 48, n.º 4 (16 de julio de 2015): 479–87. http://dx.doi.org/10.1017/s0033583515000153.
Texto completoCiesielski, Wojciech, Henryk Kołoczek, Zdzisław Oszczęda, Jacek A. Soroka y Piotr Tomasik. "Potential risk resulting from the influence of static magnetic field upon living organisms. Numerically simulated effects of the static magnetic field upon fatty acids and their glycerides". BioRisk 19 (6 de marzo de 2023): 1–24. http://dx.doi.org/10.3897/biorisk.19.96250.
Texto completoZellinger, Barbara, Ulrich Bodenhofer, Immanuela A. Engländer, Cornelia Kronberger, Brane Grambozov, Elvis Ruznic, Markus Stana et al. "Hsa-miR-3651 could serve as a novel predictor for in-breast recurrence via FRMD3". Breast Cancer 29, n.º 2 (5 de diciembre de 2021): 274–86. http://dx.doi.org/10.1007/s12282-021-01308-y.
Texto completo