Cargando…

(Ro)vibrational Spectroscopic Constants, Lifetime and QTAIM Evaluation of Fullerene Dimers Stability

The iconic caged shape of fullerenes gives rise to a series of unique chemical and physical properties; hence a deeper understanding of the attractive and repulsive forces between two buckyballs can bring detrimental information about the structural stability of such complexes, providing significant...

Descripción completa

Detalles Bibliográficos
Autores principales:	Lemos Silva, Rodrigo A., Barbosa, Mateus R., Martins, Caio R., Scalabrini Machado, Daniel F., Ribeiro, Luciano, de Oliveira, Heibbe C. B., da Silva Filho, Demétrio A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10343245/ https://www.ncbi.nlm.nih.gov/pubmed/37446684 http://dx.doi.org/10.3390/molecules28135023

Ejemplares similares

Theoretical study of the interaction of fullerenes with the emerging contaminant carbamazepine for detection in aqueous environments
por: Lemos Silva, Rodrigo A., et al.
Publicado: (2022)

Harnessing Greenhouse Gases Absorption by Doped Fullerenes with Externally Oriented Electric Field
por: Lemos Silva, Rodrigo A., et al.
Publicado: (2022)

Ro-vibrational energies of cesium dimer and lithium dimer with molecular attractive potential
por: Onate, C. A., et al.
Publicado: (2021)

Intrinsic Dynamic Nature of Neutral Hydrogen Bonds Elucidated with QTAIM Dual Functional Analysis: Role of the Compliance Force Constants and QTAIM‐DFA Parameters in Stability
por: Nishide, Taro, et al.
Publicado: (2018)

Intrinsic Dynamic Nature of Neutral Hydrogen Bonds Elucidated with QTAIM Dual Functional Analysis: Role of the Compliance Force Constants and QTAIM‐DFA Parameters in Stability
por: Nishide, Taro, et al.
Publicado: (2018)

A DFT and QTAIM insight into ethylene oxide adsorption on the surfaces of pure and metal-decorated inorganic fullerene-like nanoclusters
por: Dhali, Palash, et al.
Publicado: (2023)

Front Cover: Intrinsic Dynamic Nature of Neutral Hydrogen Bonds Elucidated with QTAIM Dual Functional Analysis: Role of the Compliance Force Constants and QTAIM‐DFA Parameters in Stability (ChemistryOpen 8/2018)
por: Nishide, Taro, et al.
Publicado: (2018)

Enhancing Fullerene-Based Solar Cell Lifetimes by Addition of a Fullerene Dumbbell**
por: Schroeder, Bob C, et al.
Publicado: (2014)

The Cis-Effect Explained Using Next-Generation QTAIM
por: Peng, Yuting, et al.
Publicado: (2022)

Synthesis, spectral analysis, molecular docking and DFT studies of 3-(2, 6-dichlorophenyl)-acrylamide and its dimer through QTAIM approach
por: Shukla, Akhilesh Kumar, et al.
Publicado: (2020)

Intrinsic Dynamic and Static Nature of π···π Interactions in Fused Benzene-Type Helicenes and Dimers, Elucidated with QTAIM Dual Functional Analysis
por: Nishide, Taro, et al.
Publicado: (2022)

High-resolution ro-vibrational and rotational spectroscopy of HC(3)O(+)
por: Asvany, Oskar, et al.
Publicado: (2023)

Spectroscopic Constants and Anharmonic Vibrational Frequencies of C(O)OC, c-C(2)O(2) and Their Silicon-Containing Analogues
por: Harwick, Olivia A., et al.
Publicado: (2023)

QTAIM analysis dataset for non-covalent interactions in furan clusters
por: Malloum, Alhadji, et al.
Publicado: (2021)

Stability, spectroscopic, electrochemistry and QTAIM analysis of Cu-Zn(n−1)O(n) clusters for glucose sensing application: A study on theoretical and experimental insights
por: Gassoumi, B., et al.
Publicado: (2022)

Fully conjugated azacorannulene dimer as large diaza[80]fullerene fragment
por: Wang, Weifan, et al.
Publicado: (2022)

A Tunable, Fullerene‐Based Molecular Amplifier for Vibrational Circular Dichroism
por: Strudwick, Benjamin H., et al.
Publicado: (2019)

Advances of Vibrational Spectroscopic Technologies in Life Sciences
por: Huck, Christian W.
Publicado: (2017)

Formation of dimers of light noble atoms under encapsulation within fullerene’s voids
por: Nikolaienko, Tymofii Yu, et al.
Publicado: (2015)

Non-fullerene acceptor organic photovoltaics with intrinsic operational lifetimes over 30 years
por: Li, Yongxi, et al.
Publicado: (2021)

Sulfation of Diethylaminoethyl-Cellulose: QTAIM Topological Analysis and Experimental and DFT Studies of the Properties
por: Kazachenko, Aleksandr, et al.
Publicado: (2021)

Publisher Correction: Fully conjugated azacorannulene dimer as large diaza[80]fullerene fragment
por: Wang, Weifan, et al.
Publicado: (2022)

From ZeRO to HeRO: Saving lives one HeRO at a time
por: Ratcliff, Dr. Charlotte, et al.
Publicado: (2016)

Substituent effects in hydrogen bonding: DFT and QTAIM studies on acids and carboxylates complexes with formamide
por: Ośmiałowski, Borys
Publicado: (2014)

Surprising Conformers of the Biologically Important A·T DNA Base Pairs: QM/QTAIM Proofs
por: Brovarets', Ol'ha O., et al.
Publicado: (2018)

The nature of the chemical bond in oxyanionic crystals based on QTAIM topological analysis of electron densities
por: Korabel'nikov, Dmitry V., et al.
Publicado: (2019)

Mannich bases of hydroxycoumarins: synthesis, DFT/QTAIM computational study and assessment of biological activity
por: Durand-Niconoff, J. Sergio, et al.
Publicado: (2021)

Multivariate Chemical Image Fusion of Vibrational Spectroscopic Imaging Modalities
por: Gowen, Aoife A., et al.
Publicado: (2016)

Qualitative and quantitative vibrational spectroscopic analysis of macronutrients in breast milk
por: Bērziņš, Kārlis, et al.
Publicado: (2021)

Vibrational Spectroscopic Monitoring of the Gelation Transition in Nafion Ionomer Dispersions
por: Liang, Ying, et al.
Publicado: (2020)

An ensemble variable selection method for vibrational spectroscopic data analysis
por: Zhang, Jixiong, et al.
Publicado: (2019)

Effect of non-covalent self-dimerization on the spectroscopic and electrochemical properties of mixed Cu(i) complexes
por: Cáceres-Vásquez, Joaquín, et al.
Publicado: (2023)

Proton Association Constants of His 37 in the Influenza-A M2(18–60) Dimer-of-Dimers
por: Colvin, Michael T., et al.
Publicado: (2014)

Using Lifetime and Quenching Rate Constant to Determine Optimal Quencher Concentration
por: Soto, Xena L., et al.
Publicado: (2022)

On the relationship between spectroscopic constants of diatomic molecules: a machine learning approach
por: Liu, Xiangyue, et al.
Publicado: (2021)

On the forbidden graphene’s ZO (out-of-plane optic) phononic band-analog vibrational modes in fullerenes
por: Pedroza-Montero, Jesús N., et al.
Publicado: (2021)

Tracking water dimers in ambient nanocapsules by vibrational spectroscopy
por: Hwang, Alexander Y., et al.
Publicado: (2022)

Unique Crystallization of Fullerenes: Fullerene Flowers
por: Kim, Jungah, et al.
Publicado: (2016)

Spectroscopic Investigation of the Effect of Microstructure and Energetic Offset on the Nature of Interfacial Charge Transfer States in Polymer: Fullerene Blends
por: Dimitrov, S. D., et al.
Publicado: (2019)

Spectroscopic Identification of the Charge Transfer State in Thiophene/Fullerene Heterojunctions: Electroabsorption Spectroscopy from GW/BSE Calculations
por: Sahoo, Smruti Ranjan, et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_40luqb9kf2si63bj9ajf4f6mmp