Results 231 to 240 of about 611,383 (325)

Making Photoresponsive Metal–Organic Frameworks an Effective Class of Heterogeneous Photocatalyst

Advanced Functional Materials, EarlyView.
This review summarizes photoresponsive MOFs for photocatalytic applications, focusing on their capacity to enhance light harvesting, charge transfer, and surface reactions. While existing studies provide foundational insights, emerging characterization techniques enable a deeper understanding of photoresponsive MOFs.
Rui Liu, Hao Wu, Hoi Ying Chung, Yun Hau Ng   +3 more
wiley   +1 more source

Computational Chemistry Column: Computational Chemistry in Switzerland and the Future HLR-91 Supercomputer

CHIMIA, 1991
J. Weber, H. Huber, H. P. Weber
doaj   +2 more sources

Discovery of new tetrazines for bioorthogonal reactions with strained alkenes via computational chemistry. [PDF]

RSC Adv
Májek M, Trtúšek M.
europepmc   +1 more source

Estimation of Free Radical Polymerization Rate Coefficients Using Computational Chemistry

, 2006
Siziwe Bebe, Xinrui Yu, Robin A. Hutchinson, Linda J. Broadbelt   +3 more
openalex   +2 more sources

Ultra‐Effective Light‐Activated Antibacterial Activity via Carboxyl Functionalized Graphene Quantum Dots and Films

Advanced Functional Materials, EarlyView.
Carboxyl‐functionalized graphene quantum dots (cGQDs) exhibit high singlet oxygen quantum yield due to strong spin–orbit coupling. cGQDs achieve minimum bactericidal concentration of only 0.4 µg mL−1 against S. aureus under low‐intensity illumination.
Muhammad Hassnain, Laure S. van Hofwegen, Humeyra Nur Kaleli, Temirlan Kubanaliev, Zafer Eroglu, Asim Onal, Payal P. S. Balraadjsing, Onder Metin, Fahri Alkan, Sebastian A. J. Zaat, Sedat Nizamoglu   +10 more
wiley   +1 more source

Development and experimental validation of 3D QSAR models for the screening of thyroid peroxidase inhibitors using integrated methods of computational chemistry. [PDF]

Heliyon
Rudresh BB, Tater AK, Barot V, Patel N, Desai A, Mitra S, Deshpande A.   +6 more
europepmc   +1 more source

The C++ programming language in cheminformatics and computational chemistry. [PDF]

J Cheminform, 2020
Rassokhin D.
europepmc   +1 more source

Most-Accessed Articles from a High-impact Leader in Computational and Physical Chemistry [PDF]

, 2008

openalex   +1 more source

Highly Off‐Centering Cations in Pavonite‐Structured Ag1.75InSb5.75Se11 with Competitive Thermoelectric Performance

Advanced Functional Materials, EarlyView.
Off‐centering of cations in pavonite‐structured Ag1.75InSb5.75Se11 (AISS) breaks crystal symmetry, inducing Rashba‐like band splitting and high band degeneracy, thus enhancing Seebeck coefficients. Soft bonds between off‐centered cations and Se atoms increase phonon scattering, achieving low lattice thermal conductivity (0.22 W m−1K−1 at 723 K). Doping
Chenghao Xie, Rongcheng Li, Weibin Xu, Bowen Jin, Xiao‐Lei Shi, Xinfeng Tang, Gangjian Tan, Zhi‐Gang Chen   +7 more
wiley   +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