Results 61 to 70 of about 4,765 (241)

Extension of the correlation functions of molecular dynamics simulations using the reference interaction site model theory for diatomic molecules

AIP Advances
The correlation functions obtained by molecular dynamics (MD) simulations for diatomic molecules were extended using the reference interaction site model (RISM) theory. The Lennard-Jones (LJ) and Coulomb potentials were employed as interaction potentials.
Tatsuhiko Miyata, Sakura Kirihata, Shunsuke Nishida, Ryuto Omuro, Kouma Nakashima   +4 more
doaj   +1 more source

Partners or passengers? Revisiting the association between diatoms and aquatic animals

Biological Reviews, EarlyView.
ABSTRACT Numerous studies have revealed the importance of research on the communities capable of colonizing animal surfaces (epibionts) and the animals on which they live (basibionts). Very few studies have considered epizoic diatoms, and there are gaps and biases in our knowledge, including the choice of basibionts, the methods used, and the habitats ...
Gianluca Vacca, Elisa Falasco, Francesca Bona   +2 more
wiley   +1 more source

Unified Analytical Treatment of Molecular Energy Spectra and Thermodynamic Properties with the q-Deformed Tietz Model

Chemistry
A precise characterization of molecular vibrations and thermodynamic properties is essential for applications in spectroscopy, computational modeling, and chemical process design. In this study, the q-deformed Tietz (qDT) oscillator is applied to examine
Edwin S. Eyube, Ibrahim Yusuf, John B. Ayuba, Ishaya I. Fwangle, Bayo Nyangskebrifun, Fatima M. Sahabo, Abdullahi A. Hamza   +6 more
doaj   +1 more source

Achievement of Transition Metal Chalcogenides/Oxides in Hydrogen Production by Seawater Electrolysis

EcoEnergy, EarlyView.
Transition metal chalcogenides (TMCs)/oxides have shown great application potential in seawater splitting for hydrogen generation due to their adjustable electronic properties, abundant active sites, and excellent catalytic performance. ABSTRACT Under the impetus of global “dual carbon” goals, green hydrogen has become a key component of the future ...
Xiaohui Du, Xinyu Li, Jianna Li, Tao Sun
wiley   +1 more source

ANALOG COMPUTER FOR STUDYING DIATOMIC MOLECULAR SPECTRA IN TERAHERTZ FREQUENCY

Spektra: Jurnal Fisika dan Aplikasinya, 2018
This paper introduces a harmonic oscillator model for rovibronic terahertz spectrum of a model of a rigid diatomic rotor with some control parameters. The model shows a study of rotationally-resolved terahertz band spectra of the vibrational transition ...
Usman Malik, Muhamad Hamdi, Salomo Salomo   +2 more
doaj   +1 more source

Co‐Catalyst/Semiconductor Interface Coupling Design for Efficient Solar‐Driven Photocatalysis

EcoEnergy, EarlyView.
Interfacial coupling strength is proposed as a unifying descriptor governing charge‐transfer behavior in co‐catalyst/semiconductor photocatalytic systems. This review establishes a coupling‐strength‐guided framework that correlates interface engineering strategies with charge transport pathways, electronic structure regulation, and photocatalytic ...
Fangxu Dai, Zhiyu Song, Meiyan Qiu, Zhen Zhang, Dan Zhang, Xiaobo Chen, Yun Hau Ng, Xin Li   +7 more
wiley   +1 more source

The Gulf of Naples as a model system for plankton ecology studies

, 2023
Marine Ecology, EarlyView.
Adriana Zingone, Domenico D'Alelio, Maria Grazia Mazzocchi   +2 more
wiley   +1 more source

Diatomic: An Open-Source Excel Application to Calculate Thermodynamic Properties for Diatomic Molecules

Computation
In this paper, I present Diatomic, an open-source Excel application that calculates molar thermodynamic properties for diatomic ideal gases. This application is very easy to use and requires only a limited number of molecular constants, which are freely ...
André Melo
doaj   +1 more source

Reduced Radial Curves of Diatomic Molecules. [PDF]

J Chem Theory Comput, 2023
Špirko V.
europepmc   +1 more source

Multidimensional Engineering Enabling Rate‐Matched C−N Coupling for Efficient Organonitrogen Electrosynthesis

EcoEnergy, EarlyView.
This review introduces rate matching as a unifying design principle for efficient electrochemical C−N coupling and highlights multidimensional engineering of catalysts, interfaces, and reactors to synchronize the generation of carbon‐ and nitrogen‐containing intermediates, balance their surface coverages, maximize C−N bond formation, and enable ...
Kaixing Cai, Chunyang Pu, Jun Yang, Guangqin Li, Jiahui Xian   +4 more
wiley   +1 more source