Results 201 to 210 of about 611,383 (325)

Structural Characteristics and Reactivity Relationships of Nitroaromatic and Nitramine Explosives – A Review of Our Computational Chemistry and Spectroscopic Research [PDF]

, 2007
Mohammad Qasim, Brett Moore, Lyssa Taylor, Leonid Gorb, Jerzy Leszczyński, Patricia Honea   +5 more
openalex   +1 more source

Selective Reduction Laser Sintering: A New Strategy for NO2 Gas Detection Based on In2O3 Nanoparticles

Advanced Functional Materials, EarlyView.
This research utilizes selective reduction laser sintering (SRLS) to engineer In2O3 NPs for flexible NO2 sensors. The introduction of oxygen vacancy defects enhances sensor performance, offering excellent responsiveness, rapid response/recovery, superior selectivity, low detection limit, and long‐term stability.
Shaogang Wang, Chunjian Tan, Qihang Zong, Shizhen Li, Chenshan Gao, Huiru Yang, Qianming Huang, Paddy French, Huaiyu Ye   +8 more
wiley   +1 more source

Computational Chemistry: Abstracts 507-518

CHIMIA, 2011
Swiss Chemical Society
doaj   +1 more source

Hamiltonian Computational Chemistry: Geometrical Structures in Chemical Dynamics and Kinetics. [PDF]

Entropy (Basel)
Farantos SC.
europepmc   +1 more source

Analyzing Electronic Excitations and Exciton Binding Energies in Y6 Films

Advanced Functional Materials, EarlyView.
The Y6 molecule is used for increasing the efficiency of organic solar cells. The exciton binding energy is calculated for ensembles of Y6 molecules that are representative of the typically used films. The calculations show that the excitons typically spread out over many molecules.
Sahar Javaid Akram, Sophie Meißner, Stephan Kümmel   +2 more
wiley   +1 more source

Computational Chemistry: Abstracts 143-195

CHIMIA, 2010
Swiss Chemical Society
doaj   +1 more source

Text Mining and Computational Chemistry Reveal Trends in Applications of Laser Desorption/Ionization Techniques to Small Molecules. [PDF]

J Am Soc Mass Spectrom
Bergman NP, Bergquist J, Hedeland M, Palmblad M.   +3 more
europepmc   +1 more source

Techniques for the execution profile analysis and optimization of computational chemistry programs [PDF]

, 2002
André Severo Pereira Gomes, Lucimara R. Martins, Pedro A. M. Vazquez   +2 more
openalex  

Computational Chemistry and Reaction Engineering Workbench

, 2003
J. Thomas McKinnon
openalex   +2 more sources

Print‐and‐Plate Architected Electrodes for Electrochemical Transformations Under Flow

Advanced Functional Materials, EarlyView.
Typical flow cell electrodes are composed of stochastic porous carbon, limiting understanding of electrode structure‐performance relationships. This work describes an approach, termed “print‐and‐plate,” to prepare porous electrodes by direct ink writing followed by conformal metal coating.
Dylan M. Barber, Sofía Edgar, Michael S. Emanuel, Michael D. Nelwood, Bok Yeop Ahn, Benito Román‐Manso, Thomas Cochard, Justin Platero, Kiana Amini, Chris H. Rycroft, Shmuel Rubinstein, Michael J. Aziz, Jennifer A. Lewis   +12 more
wiley   +1 more source