scholarly journals Calculations of coherent two-dimensional electronic spectra using forward and backward stochastic wavefunctions

2018 ◽  
Vol 149 (1) ◽  
pp. 014104 ◽  
Author(s):  
Yaling Ke ◽  
Yi Zhao
Keyword(s):  
Electronic Spectra ◽  
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.

The origin of absorptive features in the two-dimensional electronic spectra of rhodopsin

2018 ◽  
Vol 20 (18) ◽  
pp. 12746-12754 ◽  
Author(s):  
Marwa H. Farag ◽  
Thomas L. C. Jansen ◽  
Jasper Knoester
Keyword(s):  
Electronic Spectra ◽  
Two Dimensional ◽  
Model Hamiltonian

A three-state three-mode model Hamiltonian reveals the origin of the absorptive features in the two-dimensional electronic spectra of rhodopsin.

Two-dimensional electronic spectra of an aggregating dye: simultaneous measurement of monomeric and dimeric line-shapes

2009 ◽  
Vol 11 (28) ◽  
pp. 5986 ◽  
Author(s):  
Alexandra Nemeth ◽  
Vladimír Lukeš ◽  
Jaroslaw Sperling ◽  
Franz Milota ◽  
Harald F. Kauffmann ◽  
...  
Keyword(s):  
Simultaneous Measurement ◽  
Electronic Spectra ◽  
Two Dimensional ◽  
Line Shapes

scholarly journals Vibrational wave packet induced oscillations in two-dimensional electronic spectra. II. Theory

2010 ◽  
Vol 132 (18) ◽  
pp. 184515 ◽  
Author(s):  
Tomáš Mančal ◽  
Alexandra Nemeth ◽  
Franz Milota ◽  
Vladimír Lukeš ◽  
Harald F. Kauffmann ◽  
...  
Keyword(s):  
Wave Packet ◽  
Electronic Spectra ◽  
Two Dimensional

Signatures of conical intersections in two-dimensional electronic spectra

2014 ◽  
Vol 47 (12) ◽  
pp. 124019 ◽  
Author(s):  
Jindřich Krčmář ◽  
Maxim F Gelin ◽  
Dassia Egorova ◽  
Wolfgang Domcke
Keyword(s):  
Electronic Spectra ◽  
Two Dimensional ◽  
Conical Intersections

scholarly journals Transition and Group IIB Metal Complexes With “Active Aldehyde” Derivatives of Thiamine

1994 ◽  
Vol 1 (2-3) ◽  
pp. 221-231 ◽  
Author(s):  
Maria Louloudi ◽  
Nick Hadjiliadis ◽  
Jean Pierre Laussac ◽  
Robert Bau
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Electronic Spectra ◽  
Nmr Spectra ◽  
Two Dimensional ◽  
Tetrahedral Structure ◽  
The One ◽  
Pyrimidine Moiety ◽  
Derivatives Of ◽  
Cyclohexyl Methyl

The Zn2+, Cd2+, Hg2+, Co2+ and Ni2+ ions produce zwitterionic type complexes with the ligands (L), 2-(α-hydroxy-benzyl)thiamine=HBT and 2-(α-hydroxy-cyclohexyl-methyl)thiamine = HCMT, of the type MLCl3. The ligands are in the S conformation, the metals are bound to N1, of the pyrimidine moiety of thiamine and the complexes have a trigonally distorted tetrahedral structure, as the crystal structure of the complex Zn(HCMT)Cl3 (orthorombic, a=14.4 b=14.1 c=17.4 β=105.6O V=3392A3 R=13.8%), the one and two dimensional H1 nmr spectra of the Zn2+, Cd2+ and Hg2+ complexes and the electronic spectra of the Co2+ and Ni2+ complexes show. A brief review of the previous techniques (structure of the Hg(HBT)Cl3 complex, IR-Raman spectra, C13 nmr in solution and solid state etc) used to characterize these complexes, is also given here and the proper conclusions drawn.

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