Artículos de revistas sobre el tema "Novel Nano-structures -Ab-initio Study"
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Hu, Hang y Alejandro D. Rey. "Multi-step modeling of liquid crystals using ab initio molecular packing and hybrid quantum mechanics/molecular mechanics simulations". Journal of Theoretical and Computational Chemistry 16, n.º 02 (marzo de 2017): 1750012. http://dx.doi.org/10.1142/s0219633617500122.
Texto completoXiao, Chengliang, Zaiyu Xiao, Cuifang Hu, Jie Lu, Liwei Cui, Yang Zhang, Yujie Dai, Qinghua Zhang, Sheng Wang y Wei Liu. "Crystal and solution structures of a novel antimicrobial peptide from Chrysomya megacephala". Acta Crystallographica Section D Structural Biology 77, n.º 7 (18 de junio de 2021): 894–903. http://dx.doi.org/10.1107/s2059798321004629.
Texto completoKurt, Barış y Hamdi Temel. "Parameterization of Boronates Using VFFDT and Paramfit for Molecular Dynamics Simulation". Molecules 25, n.º 9 (8 de mayo de 2020): 2196. http://dx.doi.org/10.3390/molecules25092196.
Texto completoHammou, M., F. Bendahma, M. Mana, S. Terkhi, N. Benderdouche, Z. Aziz y B. Bouhafs. "Thermoelectric and Half-Metallic Behavior of the Novel Heusler Alloy RbCrC: Ab initio DFT Study". SPIN 10, n.º 04 (diciembre de 2020): 2050029. http://dx.doi.org/10.1142/s2010324720500290.
Texto completoBakhshi, A. K. y Geetika Gandhi. "Ab initio study of the electronic structures and conduction properties of some novel low band-gap donor–acceptor polymers". Solid State Communications 129, n.º 5 (febrero de 2004): 335–40. http://dx.doi.org/10.1016/j.ssc.2003.10.013.
Texto completoFu, Yudong, Zifeng Li, Weihong Gao, Danni Zhao, Zhihao Huang, Bin Sun, Mufu Yan, Guotan Liu y Zihang Liu. "Exploring Hydrogen Incorporation into the Nb4AlC3 MAX Phases: Ab Initio Calculations". Materials 15, n.º 21 (28 de octubre de 2022): 7576. http://dx.doi.org/10.3390/ma15217576.
Texto completoJovanović, Dušica, Dejan Zagorac, Branko Matović, Aleksandra Zarubica y Jelena Zagorac. "Anion substitution and influence of sulfur on the crystal structures, phase transitions, and electronic properties of mixed TiO2/TiS2 compounds". Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 77, n.º 5 (22 de septiembre de 2021): 833–47. http://dx.doi.org/10.1107/s2052520621008891.
Texto completoKazerounian, Kazem, Khalid Latif, Kimberly Rodriguez y Carlos Alvarado. "Nano-Kinematics for Analysis Of Protein Molecules". Journal of Mechanical Design 127, n.º 4 (5 de agosto de 2004): 699–711. http://dx.doi.org/10.1115/1.1867956.
Texto completoKaiser, Dietmar, Georgi Videnov, Cäcilia Maichle-Mössmer, Joachim Strähle y Günther Jung. "X-Ray structures and ab initio study of the conformational properties of novel oxazole and thiazole containing di- and tripeptide mimetics †". Journal of the Chemical Society, Perkin Transactions 2, n.º 5 (2000): 1081–85. http://dx.doi.org/10.1039/a909842i.
Texto completoWu, Guanzhao, Yangxue Liu, Zhen Yang, Liulei Ma, Yao Tang, Xianliang Zhao, Hossein Rouh et al. "Triple-Columned and Multiple-Layered 3D Polymers: Design, Synthesis, Aggregation-Induced Emission (AIE), and Computational Study". Research 2021 (8 de febrero de 2021): 1–13. http://dx.doi.org/10.34133/2021/3565791.
Texto completoBazhenova, Tamara A., Vyacheslav A. Kopotkov, Denis V. Korchagin, Yuriy V. Manakin, Leokadiya V. Zorina, Sergey V. Simonov, Ilya A. Yakushev et al. "A Series of Novel Pentagonal-Bipyramidal Erbium(III) Complexes with Acyclic Chelating N3O2 Schiff-Base Ligands: Synthesis, Structure, and Magnetism". Molecules 26, n.º 22 (16 de noviembre de 2021): 6908. http://dx.doi.org/10.3390/molecules26226908.
Texto completoWANG, LUOXIN, XINLIN TUO, HANTAO ZOU, CHANGHAI YI y XIAOGONG WANG. "AB INITIO STUDY OF THE MOLECULAR STRUCTURE AND THERMAL CIS–TRANS ISOMERIZATION OF 3,3′-DIAMINO-4,4′-AZOFURAZAN AND 3,3′-DIAMINO-4,4′-AZOXYFURAZAN". Journal of Theoretical and Computational Chemistry 08, n.º 03 (junio de 2009): 507–17. http://dx.doi.org/10.1142/s0219633609004885.
Texto completoKaiser, Dietmar, Georgi Videnov, Caecilia Maichle-Moessmer, Joachim Straehle y Guenther Jung. "ChemInform Abstract: X-Ray Structures and ab initio Study of the Conformational Properties of Novel Oxazole and Thiazole Containing Di- and Tripeptide Mimetics (I), (II)." ChemInform 31, n.º 33 (3 de junio de 2010): no. http://dx.doi.org/10.1002/chin.200033190.
Texto completoBaral, Khagendra, Puja Adhikari, Bahaa Jawad, Rudolf Podgornik y Wai-Yim Ching. "Solvent Effect on the Structure and Properties of RGD Peptide (1FUV) at Body Temperature (310 K) Using Ab Initio Molecular Dynamics". Polymers 13, n.º 19 (7 de octubre de 2021): 3434. http://dx.doi.org/10.3390/polym13193434.
Texto completoKurelchuk, U. N., A. V. Nikolaev, P. V. Borisyuk y E. V. Tkalya. "Chemical bonding between thorium and novel BN nanomaterials". Journal of Applied Physics 132, n.º 12 (28 de septiembre de 2022): 124302. http://dx.doi.org/10.1063/5.0102419.
Texto completoMorar, Cristina, Pedro Lameiras, Attila Bende, Gabriel Katona, Emese Gál y Mircea Darabantu. "Design, synthesis and structure of novel G-2 melamine-based dendrimers incorporating 4-(n-octyloxy)aniline as a peripheral unit". Beilstein Journal of Organic Chemistry 14 (9 de julio de 2018): 1704–22. http://dx.doi.org/10.3762/bjoc.14.145.
Texto completoMobed, Ahmad, Fereshteh Kohansal, Sanam Dolati, Mohammad Hasanzadeh y Seyed Kazem Shakouri. "An Innovative Electrochemical Immuno-Platform for Monitoring Chronic Conditions Using the Biosensing of Hyaluronic Acid in Human Plasma Samples". Chemosensors 11, n.º 7 (29 de junio de 2023): 367. http://dx.doi.org/10.3390/chemosensors11070367.
Texto completoLarsen, Andreas Haahr, Jerzy Dorosz, Thor Seneca Thorsen, Nicolai Tidemand Johansen, Tamim Darwish, Søren Roi Midtgaard, Lise Arleth y Jette Sandholm Kastrup. "Small-angle neutron scattering studies on the AMPA receptor GluA2 in the resting, AMPA-bound and GYKI-53655-bound states". IUCrJ 5, n.º 6 (11 de octubre de 2018): 780–93. http://dx.doi.org/10.1107/s2052252518012186.
Texto completoDanzi, Federico, Mafalda Valente, Sylwia Terlicka y M. Helena Braga. "Sodium and potassium ion rich ferroelectric solid electrolytes for traditional and electrode-less structural batteries". APL Materials 10, n.º 3 (1 de marzo de 2022): 031111. http://dx.doi.org/10.1063/5.0080054.
Texto completoBanister, Arthur J., Michael I. Hansford, Zdenek V. Hauptman, Anthony W. Luke, Simon T. Wait, William Clegg y Karl Anker Jørgensen. "Novel S–N ring contractions using the 4-phenyl-1,2,3,5-dithiadiazole dimer, the synthesis and X-ray crystal structures of [(PhCN2S2)2Cl][S3N3], [PhCN2S2][S3N3], and [PhCN2S2][S3N2]Cl, and an ab initio molecular-orbital study of the bonding in [PhCN2S2][S3N3]". J. Chem. Soc., Dalton Trans., n.º 9 (1990): 2793–802. http://dx.doi.org/10.1039/dt9900002793.
Texto completoChakraborty, Sudip, G. Sashidhar, S. V. Ghaisas y V. Sundararajan. "Ab-Initio Calculation for the Study of Nano Scale Silicon Based Device Structure". Solid State Phenomena 139 (abril de 2008): 113–18. http://dx.doi.org/10.4028/www.scientific.net/ssp.139.113.
Texto completoMastriani, Emilio, Alexey V. Rakov y Shu-Lin Liu. "Isolating SARS-CoV-2 Strains From Countries in the Same Meridian: Genome Evolutionary Analysis". JMIR Bioinformatics and Biotechnology 2, n.º 1 (22 de enero de 2021): e25995. http://dx.doi.org/10.2196/25995.
Texto completoAL OGAILI, H. A. T., S. I. ABBAS y M. A. MOHAMMED. "RAMAN SPECTRA AND ELECTRONIC FEATURES FOR NANOTUBES OF ZnSSeWURTZIOD: AB-INITIO". Chalcogenide Letters 17, n.º 5 (mayo de 2020): 251–55. http://dx.doi.org/10.15251/cl.2020.175.251.
Texto completoGhandchi, Majid, Ghafar Darvish y Mohammad Kazem Moravvej-Farshi. "Properties of Bilayer Graphene Quantum Dots for Integrated Optics: An Ab Initio Study". Photonics 7, n.º 3 (22 de septiembre de 2020): 78. http://dx.doi.org/10.3390/photonics7030078.
Texto completoSchön, Johann. "Nanomaterials - what energy landscapes can tell us". Processing and Application of Ceramics 9, n.º 3 (2015): 157–68. http://dx.doi.org/10.2298/pac1503157s.
Texto completoMiháliková, Ivana, Martin Friák, Yvonna Jirásková, David Holec, Nikola Koutná y Mojmír Šob. "Impact of Nano-Scale Distribution of Atoms on Electronic and Magnetic Properties of Phases in Fe-Al Nanocomposites: An Ab Initio Study". Nanomaterials 8, n.º 12 (16 de diciembre de 2018): 1059. http://dx.doi.org/10.3390/nano8121059.
Texto completoKoh, Eun-Young, Keun-Sik Kim, Hee-Bin Park, Jong-Seok Kim y Pyung-Hwan Kim. "Active Targeting of Versatile Nanocomplex Using the Novel Biomarker of Breast Cancer Stem Cells". International Journal of Molecular Sciences 24, n.º 1 (30 de diciembre de 2022): 685. http://dx.doi.org/10.3390/ijms24010685.
Texto completoBrozzesi, Simone, Claudio Attaccalite, Francesco Buonocore, Giacomo Giorgi, Maurizia Palummo y Olivia Pulci. "Ab Initio Study of Graphene/hBN Van der Waals Heterostructures: Effect of Electric Field, Twist Angles and p-n Doping on the Electronic Properties". Nanomaterials 12, n.º 12 (20 de junio de 2022): 2118. http://dx.doi.org/10.3390/nano12122118.
Texto completoFuller, James, Joseph Batchelor, Kevin Knockenhauer, Hans-Peter Biemann y Robert Peters. "Cryo-EM Structure of BIVV001 Reveals Coagulation Factor VIII-Von Willebrand Factor D'D3 Interaction Mode". Blood 134, Supplement_1 (13 de noviembre de 2019): 94. http://dx.doi.org/10.1182/blood-2019-126645.
Texto completoWang, Wenshuang, Xiaojuan Cai, Naihan Han, Wenjun Han, Kazuyuki Sugahara y Fuchuan Li. "Sequencing of chondroitin sulfate oligosaccharides using a novel exolyase from a marine bacterium that degrades hyaluronan and chondroitin sulfate/dermatan sulfate". Biochemical Journal 474, n.º 22 (9 de noviembre de 2017): 3831–48. http://dx.doi.org/10.1042/bcj20170591.
Texto completoKrause, Kurt. "William Nunn Lipscomb, Jr – A Kentucky Colonel's Contribution to Boranes, Proteins and Atomic Structure". Acta Crystallographica Section A Foundations and Advances 70, a1 (5 de agosto de 2014): C1305. http://dx.doi.org/10.1107/s205327331408694x.
Texto completoWu, Rui-Qing, Meng-Qiu Long, Xiao-Jiao Zhang, Yun-Peng Wang, Meng-Li Yao, Ming-Ming Li, Chun-Hua Zhu et al. "Optical Properties of C-rich (12C, SiC and FeC) Dust Layered Structure of Massive Stars*". Research in Astronomy and Astrophysics 22, n.º 3 (22 de febrero de 2022): 035014. http://dx.doi.org/10.1088/1674-4527/ac46a4.
Texto completoLatosińska, Jolanta Natalia, Magdalena Latosińska, Andrzej Orzeszko y Jan Krzysztof Maurin. "Synthesis and Crystal Structure of Adamantylated 4,5,6,7-tetrahalogeno-1H-benzimidazoles Novel Multi-Target Ligands (Potential CK2, M2 and SARS-CoV-2 Inhibitors). X-ray/DFT/QTAIM/Hirshfeld Surfaces/Molecular Docking Study". Molecules 28, n.º 1 (24 de diciembre de 2022): 147. http://dx.doi.org/10.3390/molecules28010147.
Texto completoWang, Canran, Shan Jiang, Wenyue Ma, Zhaoyang Liu, Leijing Liu, Yongcun Zou, Bin Xu y Wenjing Tian. "Polymorphic Covalent Organic Frameworks: Molecularly Defined Pore Structures and Iodine Adsorption Property". Molecules 28, n.º 1 (3 de enero de 2023): 449. http://dx.doi.org/10.3390/molecules28010449.
Texto completoDestache, Christopher J., Pavan Prathipati, Manasa Velagaputi y Subhra Mandal. "2501. CCR5 Targeted ARV Loaded Nanoparticle: Dual Protection for HIV Functional Cure". Open Forum Infectious Diseases 6, Supplement_2 (octubre de 2019): S867—S868. http://dx.doi.org/10.1093/ofid/ofz360.2179.
Texto completoKarah, Nabil, Chinmay Kumar Dwibedi, Karin Sjöström, Petra Edquist, Anders Johansson, Sun Nyunt Wai y Bernt Eric Uhlin. "Novel Aminoglycoside Resistance Transposons and Transposon-Derived Circular Forms Detected in Carbapenem-Resistant Acinetobacter baumannii Clinical Isolates". Antimicrobial Agents and Chemotherapy 60, n.º 3 (11 de enero de 2016): 1801–18. http://dx.doi.org/10.1128/aac.02143-15.
Texto completoShetiya, Suraj, Saravanan Thirumuruganathan, Nick Koudas y Gautam Das. "Astrid". Proceedings of the VLDB Endowment 14, n.º 4 (diciembre de 2020): 471–84. http://dx.doi.org/10.14778/3436905.3436907.
Texto completoLiu, Zhen. "Probing the Higgs with angular observables at future e+e− colliders". International Journal of Modern Physics A 31, n.º 33 (22 de noviembre de 2016): 1644005. http://dx.doi.org/10.1142/s0217751x1644005x.
Texto completoPlüss, Michael, Florian Schellenberg, William R. Taylor y Silvio Lorenzetti. "Towards Subject-Specific Strength Training Design through Predictive Use of Musculoskeletal Models". Applied Bionics and Biomechanics 2018 (19 de marzo de 2018): 1–10. http://dx.doi.org/10.1155/2018/9721079.
Texto completoHasegawa, Masatoshi y Tomoaki Hishiki. "Poly(ester imide)s Possessing Low Coefficients of Thermal Expansion and Low Water Absorption (V). Effects of Ester-linked Diamines with Different Lengths and Substituents". Polymers 12, n.º 4 (8 de abril de 2020): 859. http://dx.doi.org/10.3390/polym12040859.
Texto completoYang, Bin, Yuan Li, Wentao Shi, Yingying Liu, Yongjun Kan, Jinlong Chen, Juan Hu y Wensheng Pang. "Use of Fluorescent 2-AB to Explore the Bidirectional Transport Mechanism of Pseudostellaria heterophylla Polysaccharides across Caco-2 Cells". Molecules 27, n.º 10 (17 de mayo de 2022): 3192. http://dx.doi.org/10.3390/molecules27103192.
Texto completoSakai, Takamasa, Yuki Akagi y Ung-il Chung. "Correlation between Mechanical Properties and Structure in Polymer Gels with Controlled Network Structure". MRS Proceedings 1622 (2014): 7–16. http://dx.doi.org/10.1557/opl.2014.35.
Texto completoIgney, Frederik H., Rebecca Ebenhoch, Felix Schiele y Herbert Nar. "Anti-GARP Antibodies Inhibit Release of TGF-β by Regulatory T Cells via Different Modes of Action, but Do Not Influence Their Function In Vitro". ImmunoHorizons 7, n.º 3 (1 de marzo de 2023): 200–212. http://dx.doi.org/10.4049/immunohorizons.2200072.
Texto completoDamek-Poprawa, Monika, Jae Yeon Jang, Alla Volgina, Jonathan Korostoff y Joseph M. DiRienzo. "Localization of Aggregatibacter actinomycetemcomitans Cytolethal Distending Toxin Subunits during Intoxication of Live Cells". Infection and Immunity 80, n.º 8 (29 de mayo de 2012): 2761–70. http://dx.doi.org/10.1128/iai.00385-12.
Texto completoChan, Wei, Thomas Theriault, Ronald Levy y James Swartz. "Development of a Novel Virus-like Particle (VLP) Vaccine for Personalized B-Cell Lymphoma and Chronic Lymphocytic Leukemia Therapy". Blood 126, n.º 23 (3 de diciembre de 2015): 2748. http://dx.doi.org/10.1182/blood.v126.23.2748.2748.
Texto completoCaivano, Antonella, Francesco La Rocca, Ilaria Laurenzana, Alessandra Favole, Irma Airoldi, Emma Di Carlo, Valentina Gaidano et al. "EphA3 As a Molecular Target In Multiple Myeloma: Opportunity For a Novel Therapeutic Approach With a Specific Monoclonal Antibody". Blood 122, n.º 21 (15 de noviembre de 2013): 3211. http://dx.doi.org/10.1182/blood.v122.21.3211.3211.
Texto completoCseh, S., K. Kanyo, J. Konc, L. Solti, E. Varga y R. Kriston. "87 THE EFFECT OF LOW TEMPERATURE ON THE DETECTABILITY/VISUALIZATION OF THE MEIOTIC SPINDLE IN MII MOUSE OOCYTES". Reproduction, Fertility and Development 18, n.º 2 (2006): 152. http://dx.doi.org/10.1071/rdv18n2ab87.
Texto completoFrost, Sofia H. L., Erlinda B. Santos, Brian W. Miller, Tom A. Bäck, Donald K. Hamlin, D. Scott Wilbur, Aimee L. Kenoyer et al. "Anti-CD45 Monoclonal Antibody (MAb) Dose Optimization For Astatine-211 (211At)-Radioimmunotherapy (RIT) Of Relapsed Non-Hodgkin Lymphoma (NHL) In a Canine Model". Blood 122, n.º 21 (15 de noviembre de 2013): 5139. http://dx.doi.org/10.1182/blood.v122.21.5139.5139.
Texto completoBhandari, Sudhir, Ajit Singh Shaktawat, Bhoopendra Patel, Amitabh Dube, Shivankan Kakkar, Amit Tak, Jitendra Gupta y Govind Rankawat. "The sequel to COVID-19: the antithesis to life". Journal of Ideas in Health 3, Special1 (1 de octubre de 2020): 205–12. http://dx.doi.org/10.47108/jidhealth.vol3.issspecial1.69.
Texto completoMorgan, Dane, Gerbrand Ceder y Stefano Curtarolo. "Data Mining Approach to Ab-Initio Prediction of Crystal Structure". MRS Proceedings 804 (2003). http://dx.doi.org/10.1557/proc-804-jj9.25.
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