Results 151 to 160 of about 3,429,176 (324)

Toward Architected Microstructures Using Advanced Laser Beam Shaping in Laser Powder Bed Fusion of Ti‐6Al‐4V

Advanced Functional Materials, EarlyView.
This research applies advanced laser beam shaping (LCoS‐SLM) to fabricate the Ti‐6Al‐4V alloy via laser powder bed fusion. A tailored beam is used to prevent martensite formation and create a dual α+β microstructure by controlling cooling rates.
Reza Esmaeilzadeh, Jamasp Jhabvala, Lucas Schlenger, Mathijs van der Meer, Eric Boillat, Cyril Cayron, Amir Mohammad Jamili, Junfeng Xiao, Roland E. Logé   +8 more
wiley   +1 more source

Three-dimensional Structure-activity Relationship of Vitamin D Based on Computational and Synthetic Chemistries.

, 2001
Keiko Yamamoto, Hiroyuki Masuno, Sachiko Yamada   +2 more
openalex   +2 more sources

Electric Pulse Regulated MXene Based Nanozymes for Integrative Bioelectricity Immuno‐Cancer Therapy

Advanced Functional Materials, EarlyView.
MXenzyme‐mediated bioelectricity cancer therapy (MXenzyme‐BECT) enhances cancer cell death through irreversible depolarization, ion channel disruption, ROS generation, and immunogenic cell death. Computational simulations reveal the electrical mechanisms by which MXenzyme acts on single cells and support to predict treatment parameters. Next‐generation
Sanghee Lee, Seongchan Kim, Eui‐Sang Yu, Sian Lee, Min Jun Ko, Hyojin Lee, Dong‐Hyun Kim   +6 more
wiley   +1 more source

Exploring the Supramolecular Interactions and Thermal Stability of Dapsone:Bipyridine Cocrystals by Combining Computational Chemistry with Experimentation. [PDF]

Cryst Growth Des, 2023
Racher F, Petrick TL, Braun DE.
europepmc   +1 more source

Bi‐Directional Assembly of Boron Nitride µ‐Platelets by Micro‐Molding for Advanced Thermal Interface Materials

Advanced Functional Materials, EarlyView.
Bi‐directionally assembled BN µ‐platelets in micropatterns formed by a micro‐molding method for thermal interface materials are demonstrated. The BN µ‐platelets are vertically aligned selectively, while compressed regions without patterns accommodate horizontally assembled BN µ‐platelets. Through anisotropic orientation, high thermal conductivities for
Young Gil Kim, In‐Young Jung, Yujin Mun, Joo Hwan Shin, Sang Gil Lee, Gyan Raj Koirala, Taewoo Kang, Jehyung Ok, Hyesu Choi, Jiwon Kim, Youngkwang Shin, Seok Joon Kwon, Tae‐il Kim   +12 more
wiley   +1 more source

Session Computational Chemistry

CHIMIA, 2019
David Spichiger
doaj   +2 more sources

Absorption Spectrum of Hydroperoxymethyl Thioformate: A Computational Chemistry Study. [PDF]

Molecules
Catalán-Fenollosa D, Carmona-García J, Borrego-Sánchez A, Saiz-Lopez A, Roca-Sanjuán D.   +4 more
europepmc   +1 more source

Exploring the Cocrystal Landscape of Posaconazole by Combining High-Throughput Screening Experimentation with Computational Chemistry. [PDF]

Cryst Growth Des, 2023
Guidetti M, Hilfiker R, Kuentz M, Bauer-Brandl A, Blatter F.   +4 more
europepmc   +1 more source

Computational Chemistry for Nuclear Waste Characterization and Processing: Relativistic Quantum Chemistry of Actinides

, 2002
Robert J. Harrison, David E. Bernholdt, Bruce E. Bursten, Wibe A. de Jong, David A. Dixon, Kenneth G. Dyall, Walter V Ermler, George I. Fann, Phillipa Hay, Nina Ismail Buchner, Ricky A. Kendall, Jun Li, M. M. Marino, Colin J. Marsden, Richard L. Martin, Michael Minkoff, Jeffrey A. Nichols, Jarek Nieplocha, Russell M. Pitzer, Lawrence R. Pratt, Hans Georg Schreckenbach, Michael Seth, Ron Shepard, Rick Stevens, Jeffrey L. Tilson, Albert F. Wagner, Qi Wang, Theresa L. Windus, Adrian T. Wong, Zhiyong Zhang   +29 more
openalex   +1 more source

Enhancing Optoelectronic Properties in Phthalocyanine‐Based SURMOFs: Synthesis of ABAB Linkers by Avoiding Statistical Condensation with Tailored Building Blocks

Advanced Functional Materials, EarlyView.
A novel phthalocyanine (PC)‐based metal–organic framework (MOFs) is synthesized using ditopic PC linkers obtained through regioselective statistical condensation. The resulting MOF exhibits significant improvements in electronic absorption, thereby enhancing the material's performance in light harvesting and energy conversion.
Lukas S. Langer, Mareen Stahlberger, Xiaojing Liu, Yi Luo, Niklas E. Häußermann, Puja Singhvi, Yidong Liu, Olaf Fuhr, Martin Nieger, Lars Heinke, Thomas Heine, Christof Wöll, Stefan Bräse   +12 more
wiley   +1 more source