Results 161 to 170 of about 403,555 (400)

Vibrational study of the CS2H2O, CS2-(H2O)2, and (CS2)2H2O complexes isolated in solid neon. Highlighting the existence of two isomers for CS2H2O

, 2021
P. Soulard, B. Tremblay
openalex   +2 more sources

Topological Materials and Related Applications

Advanced Electronic Materials, EarlyView.
This review covers topological materials—including topological insulators, quantum valley Hall and quantum spin Hall insulators, and topological Weyl and Dirac semimetals—as well as their most recent advancements in fields such as spintronics, electronics, photonics, thermoelectrics, and catalysis.
Carlo Grazianetti, Roberto Mantovan, Emanuele Longo, Harold J. W. Zandvliet, Pantelis Bampoulis, Yu Pan, Fan Li, Xia Wang, Payton Downey, Alessandro Molle   +9 more
wiley   +1 more source

Distinguishing Carbohydrate Isomers with Ion-Molecule Reactions and Insights into Metal Cationization

, 2019
Matthew T. Campbell
openalex   +2 more sources

Molecular Design and Interfacial Functions of Self‐Assembled Monolayers for Perovskite and Tandem Solar Cells

Advanced Energy Materials, EarlyView.
We identify two decisive levers for SAM interfaces: molecular design (carboxylic acid‐based, phosphonic acid, other anchoring chemistries, and polymeric SAMs) and mixing routes (co‐assembly, in situ assembly, pre‐ and post‐treatment). Coordinated tuning of headgroups and assembly pathways optimises energy alignment and film formation, suppresses ...
Jiaxu Zhang, Bochun Kang, Feng Yan
wiley   +1 more source

Theoretical Investigation of the Molecular Properties of the Fluoroaniline and Fluoroanisole Isomers

Düzce Üniversitesi Bilim ve Teknoloji Dergisi
This research paper aims to analyse the molecular properties of fluoroaniline and fluoroanisole isomers through a range of theoretical methods. These methods include optimization of molecular structures, conformational analysis, and calculation of ...
Abdullah Kepceoğlu, Yavuz Ekincioğlu
doaj   +1 more source

Microsecond isomers beyond $^{68}$Ni

, 1998
International audienceExcited states in the nuclei with Z ∼ 28 and N ∼ 40 have been studied. These neutron-rich nuclei have been produced in the fragmentation reaction of a 86Kr beam at 60.3 MeV/ nucl. The decays of isomers populated in the fragmentation
Sawicka, M., Béraud, R., Grzywacz, R., Lopez, M.J., Emsallem, A., Sletten, G., de France, G., Jones, K.L., Lemmon, R., Rykaczewski, K., Angélique, J.C., Bingham, C., Sauvestre, J-E., Grawe, H., Daugas, J.M., Bentida, R., Achouri, N.L., Borcea, C., Lewitowicz, M., Stanoui, M., Baiborodin, D., Catford, W.N.   +21 more
core   +1 more source

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

SYNTHESIS OF ISOMERS OF ORGANOTIN SUBSTITUTED POLYOXOTUNGSTATES AND COMPARISON OF THE ANTITUMOR ACTIVITY OF ISOMERS

, 2002
A comparison of the antitumor activity against two human tumor cell lines for the isomers of organometallo-substituted polyoxometalates is reported. The polyoxometalate skeletal isomers affect the antitumor activity.
Jingfu Liu, Wang, Xiaohong, Zhang, Rongchang, Liu, Jutao, Zhang, Rongchang, Bin Li, Liu, Jutao, Li, Bin, Xiaohong Wang, Liu, Jingfu, Li, Bin, Jutao Liu, Rongchang Zhang, Liu, Jingfu, Wang, Xiaohong   +14 more
core   +1 more source

Determination of monoalkyl phenol isomers using shift reagents

, 1977
Kiyoshi Mashimo, Tomohiko HAYASHIBE, Tohru WAINAI   +2 more
openalex   +2 more sources

Molecular Design Strategies for High‐Voltage Organic Cathodes

Advanced Energy Materials, EarlyView.
This work proposes molecular engineering strategies for high‐voltage organic cathode materials for Li‐ion batteries: (1) increase Li‐O coordination number (CN), (2) achieve a greater increase in aromaticity upon reduction (∆Aromaticity), and (3) add an electron‐withdrawing group (EWG), through a combined experimental and computational study on reported
Sungil Hong, Alae Eddine Lakraychi, Artur Lyssenko, Abhishek Ashwin Panchal, Harshan Reddy Gopidi, Pieremanuele Canepa, Rafael Gómez‐Bombarelli, Yan Yao, Rajeev Surendran Assary   +8 more
wiley   +1 more source