scholarly journals On-the-fly ab initio semiclassical evaluation of third-order response functions for two-dimensional electronic spectroscopy

2020 ◽  
Vol 153 (18) ◽  
pp. 184110
Author(s):  
Tomislav Begušić ◽  
Jiří Vaníček
Keyword(s):  
Ab Initio ◽  
Electronic Spectroscopy ◽  
Two Dimensional ◽  
Response Functions ◽  
Third Order

Thermal Transport Property of Novel Two-dimensional Nitride Phosphorus: an ab initio Study

2021 ◽  
pp. 149463
Author(s):  
Bing Lv Calculation ◽  
Xiaona Hu ◽  
Ning Wang ◽  
Jia Song ◽  
Xuefei Liu ◽  
...  
Keyword(s):  
Ab Initio ◽  
Transport Property ◽  
Thermal Transport ◽  
Two Dimensional ◽  
Ab Initio Study ◽  
Thermal Transport Property

ChemInform Abstract: High-Throughput ab initio Screening for Two-Dimensional Electride Materials.

ChemInform ◽  
2014 ◽  
Vol 45 (48) ◽  
pp. no-no
Author(s):  
Tomofumi Tada ◽  
Seiji Takemoto ◽  
Satoru Matsuishi ◽  
Hideo Hosono
Keyword(s):  
Ab Initio ◽  
High Throughput ◽  
Two Dimensional

scholarly journals Exploring size and state dynamics in CdSe quantum dots using two-dimensional electronic spectroscopy

2014 ◽  
Vol 140 (8) ◽  
pp. 084701 ◽  
Author(s):  
Justin R. Caram ◽  
Haibin Zheng ◽  
Peter D. Dahlberg ◽  
Brian S. Rolczynski ◽  
Graham B. Griffin ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Electronic Spectroscopy ◽  
Cdse Quantum Dots ◽  
Two Dimensional

One- and two-dimensional carbon nanostructures based on unfolded buckyballs: An ab initio investigation of their electronic properties

2017 ◽  
Vol 95 (19) ◽  
Author(s):  
Francisco Iago Lira Passos ◽  
José Gadelha da Silva Filho ◽  
Aldilene Saraiva-Souza ◽  
Antônio Gomes Souza Filho ◽  
Vincent Meunier ◽  
...  
Keyword(s):  
Ab Initio ◽  
Electronic Properties ◽  
Carbon Nanostructures ◽  
Two Dimensional

scholarly journals Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates

2018 ◽  
Vol 207 ◽  
pp. 233-250 ◽  
Author(s):  
Javier Segarra-Martí ◽  
Vishal K. Jaiswal ◽  
Ana Julieta Pepino ◽  
Angelo Giussani ◽  
Artur Nenov ◽  
...  
Keyword(s):  
Nucleic Acid ◽  
Ground State ◽  
Electronic Spectra ◽  
Crucial Role ◽  
Electronic Spectroscopy ◽  
Two Dimensional ◽  
Molecular Conformations ◽  
Computational Strategy

A computational strategy to simulate two-dimensional electronic spectra (2DES) is introduced, which allows characterising ground state conformations of flexible nucleobase aggregates that play a crucial role in nucleic acid photochemistry.

scholarly journals Two Dimensional Broadband Electronic Spectroscopy of Photosystem II Core Complexes

2013 ◽  
Vol 104 (2) ◽  
pp. 653a
Author(s):  
Henry D. Wilson ◽  
Franklin D. Fuller ◽  
Charles F. Yocum ◽  
Jennifer P. Ogilvie
Keyword(s):  
Photosystem Ii ◽  
Electronic Spectroscopy ◽  
Two Dimensional
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