CLUSTER ASPECT IN UNSTABLE NUCLEI IN P-SHELL AND SD-SHELL REGIONS

2006 ◽  
Vol 15 (07) ◽  
pp. 1541-1548
Author(s):  
YOSHIKO KANADA-EN'YO ◽  
MASAAKI KIMURA
Keyword(s):  
Experimental Data ◽  
Molecular Dynamics ◽  
Excited States ◽  
Cluster State ◽  
Cluster Structure ◽  
Spin Parity ◽  
Unstable Nuclei ◽  
Variational Calculations

Structures of excited states in 11 C and 11 B were studied based on variational calculations after spin-parity projection in a framework of antisymmetrized molecular dynamics (AMD). The calculations systematically reproduce the experimental data of the transition strengths such as Gamov-Teller and M1 transitions. A well-developed cluster structure of 2α+3 He (t) was found in the [Formula: see text] state of 11 C (11 B ), which can be assigned to the observed [Formula: see text] state at 8 MeV. The calculations reproduce the small [Formula: see text] measured in the recent experiments. It was suggested that the [Formula: see text] state has a dilute cluster state, and its features are similar to those of the [Formula: see text] which is considered to be a gas state of three α clusters. The structures of 13 C were also discussed.

Three-center cluster states in 11C and 11B

2006 ◽  
Vol 21 (31n33) ◽  
pp. 2403-2409
Author(s):  
Yoshiko Kanada-En'yo
Keyword(s):  
Experimental Data ◽  
Molecular Dynamics ◽  
Excited States ◽  
Cluster State ◽  
Cluster Structure ◽  
Cluster States ◽  
Spin Parity ◽  
Variational Calculations

Structures of excited states in 11 C and 11 B were studied based on variational calculations after spin-parity projection in a framework of antisymmetrized molecular dynamics (AMD). The calculations systematically reproduce experimental data of the transition strengths such as Gamov-Teller(GT) and M1 transitions. A well-developed cluster structure of 2α+3 He (t) was found in the [Formula: see text] state of 11 C (11 B ). We assigned this state to the observed [Formula: see text] state at 8 MeV. The calculations reproduce the small [Formula: see text] which has been measured in the recent experiments. It was found that the [Formula: see text] state has a dilute cluster state, and its features are similar to those of the [Formula: see text] which is considered to be a gas state of three α clusters.

CLUSTER STRUCTURE OF UNSTABLE NUCLEI STUDIED WITH AMD

2008 ◽  
Vol 17 (10) ◽  
pp. 2336-2344 ◽  
Author(s):  
YOSHIKO KANADA-EN'YO ◽  
MASAAKI KIMURA ◽  
YASUTAKA TANIGUCHI ◽  
TADAHIRO SUHARA
Keyword(s):  
Molecular Dynamics ◽  
Excited States ◽  
Theoretical Calculations ◽  
Linear Chain ◽  
Cluster Structure ◽  
Chain Structure ◽  
Unstable Nuclei ◽  
Linear Chain Structure

We report three-center cluster structures in the excited states of 11 B (11 C ), 8 He and 14 C based on theoretical calculations with the antisymmetrized molecular dynamics (AMD). In particular we discuss the cluster gas-like states 2α + t(2α+3 He ) in 11 B (11 C ) and α + 2n + 2n in 8 He . In 14 C , the 3α linear-chain structure is discussed.

2α + t cluster state in 11B

2006 ◽  
Vol 21 (31n33) ◽  
pp. 2383-2392 ◽  
Author(s):  
T. Kawabata ◽  
H. Akimune ◽  
H. Fujita ◽  
M. Fujiwara ◽  
K. Hara ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Shell Model ◽  
Excited States ◽  
Cluster State ◽  
Cluster Structure

The cluster structures of the excited states in 11 B are studied by analyzing the isoscalar monopole and quadrupole strengths in the 11 B (d,d′) reaction at Ed = 200 MeV . The excitation strengths are compared with the predictions by the shell-model and antisymmetrized molecular-dynamics (AMD) calculations. It is found that the large monopole strength for the [Formula: see text] state at Ex = 8.56 MeV is well described by the AMD calculation and is an evidence for a developed 2α + t cluster structure.

scholarly journals Analysis of excited states in 13C and their cluster structure

2019 ◽  
Vol 223 ◽  
pp. 01034
Author(s):  
Ivano Lombardo
Keyword(s):  
Experimental Data ◽  
Excited States ◽  
Level Scheme ◽  
Cluster Structure ◽  
Theoretical Models ◽  
Matrix Analysis ◽  
Data Sets ◽  
R Matrix ◽  
Nuclear Systems ◽  
Spectroscopic Information

An accurate understanding of the spectroscopy of 13C is key to understand clustering phenomena in light nuclear systems. In this nucleus, many theoretical models predict the existence of α-cluster configurations, stabilized by the presence of an extra neutron. Despite of its importance, the spectroscopy of13C is still affected by ambiguities, demanding for new data against which benchmarking the models. We improve the knowledge on the 13C level scheme by means of a comprehensive R-matrix analysis of several experimental data sets. Our new spectroscopic information contributes to solve existing ambiguities in 13C structure and will serve a valid benchmark for theoretical models attempting to describe clustering in neutron rich systems.

A Thorough Theoretical Exploration of Intriguing Characteristics of Cyclo[18]carbon: Geometry, Bonding Nature, Aromaticity, Weak Interaction, Reactivity, Excited States, Vibrations, Molecular Dynamics and Various Molecular Properties

2019 ◽  
Author(s):  
Tian Lu ◽  
Qinxue Chen ◽  
Zeyu Liu
Keyword(s):  
Molecular Dynamics ◽  
Excited States ◽  
Electronic Excitation ◽  
Ring Structure ◽  
Molecular Properties ◽  
Molecular Vibration ◽  
Full Characterization ◽  
Long Time ◽  
Almost All

Although cyclo[18]carbon has been theoretically and experimentally investigated since long time ago, only very recently it was prepared and directly observed by means of STM/AFM in condensed phase (Kaiser et al., <i>Science</i>, <b>365</b>, 1299 (2019)). The unique ring structure and dual 18-center π delocalization feature bring a variety of unusual characteristics and properties to the cyclo[18]carbon, which are quite worth to be explored. In this work, we present an extremely comprehensive and detailed investigation on almost all aspects of the cyclo[18]carbon, including (1) Geometric characteristics (2) Bonding nature (3) Electron delocalization and aromaticity (4) Intermolecular interaction (5) Reactivity (6) Electronic excitation and UV/Vis spectrum (7) Molecular vibration and IR/Raman spectrum (8) Molecular dynamics (9) Response to external field (10) Electron ionization, affinity and accompanied process (11) Various molecular properties. We believe that our full characterization of the cyclo[18]carbon will greatly deepen researchers' understanding of this system, and thereby help them to utilize it in practice and design its various valuable derivatives.

A Thorough Theoretical Exploration of Intriguing Characteristics of Cyclo[18]carbon: Geometry, Bonding Nature, Aromaticity, Weak Interaction, Reactivity, Excited States, Vibrations, Molecular Dynamics and Various Molecular Properties

2019 ◽  
Author(s):  
Tian Lu ◽  
Qinxue Chen ◽  
Zeyu Liu
Keyword(s):  
Molecular Dynamics ◽  
Excited States ◽  
Electronic Excitation ◽  
Ring Structure ◽  
Molecular Properties ◽  
Molecular Vibration ◽  
Full Characterization ◽  
Long Time ◽  
Almost All

Although cyclo[18]carbon has been theoretically and experimentally investigated since long time ago, only very recently it was prepared and directly observed by means of STM/AFM in condensed phase (Kaiser et al., <i>Science</i>, <b>365</b>, 1299 (2019)). The unique ring structure and dual 18-center π delocalization feature bring a variety of unusual characteristics and properties to the cyclo[18]carbon, which are quite worth to be explored. In this work, we present an extremely comprehensive and detailed investigation on almost all aspects of the cyclo[18]carbon, including (1) Geometric characteristics (2) Bonding nature (3) Electron delocalization and aromaticity (4) Intermolecular interaction (5) Reactivity (6) Electronic excitation and UV/Vis spectrum (7) Molecular vibration and IR/Raman spectrum (8) Molecular dynamics (9) Response to external field (10) Electron ionization, affinity and accompanied process (11) Various molecular properties. We believe that our full characterization of the cyclo[18]carbon will greatly deepen researchers' understanding of this system, and thereby help them to utilize it in practice and design its various valuable derivatives.

scholarly journals Local Structuring of Diketopyrrolopyrrole (DPP)-based Oligomers from Molecular Dynamics Simulations

2021 ◽  
Author(s):  
Maryam Reisjalali ◽  
J. Javier Burgos-Marmol ◽  
Rex Manurung ◽  
Alessandro Troisi
Keyword(s):  
Experimental Data ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
High Mobility ◽  
Semiconducting Polymers ◽  
Microscopic Structure ◽  
Dynamics Simulations

The microscopic structure of high mobility semiconducting polymers is known to be essential for their performance but it cannot be easily deduced from the available experimental data. A series of...

scholarly journals Molecular dynamics simulations and CD spectroscopy reveal hydration-induced unfolding of the intrinsically disordered LEA proteins COR15A and COR15B from Arabidopsis thaliana

2016 ◽  
Vol 18 (37) ◽  
pp. 25806-25816 ◽  
Author(s):  
Carlos Navarro-Retamal ◽  
Anne Bremer ◽  
Jans Alzate-Morales ◽  
Julio Caballero ◽  
Dirk K. Hincha ◽  
...  
Keyword(s):  
Experimental Data ◽  
Molecular Dynamics ◽  
Arabidopsis Thaliana ◽  
Molecular Dynamics Simulations ◽  
Md Simulations ◽  
Cd Spectroscopy ◽  
Lea Proteins ◽  
Intrinsically Disordered ◽  
Dynamics Simulations ◽  
Crowded Environment

Unfolding of intrinsically unstructured full-length LEA proteins in a differentially crowded environment can be modeled by 30 ns MD simulations in accordance with experimental data.

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