Investigation of the Electronic Spectra and Excited-State Geometries of Poly(para-phenylene vinylene) (PPV) and Poly(para-phenylene) (PP) by the Symmetry-Adapted Cluster Configuration Interaction (SAC-CI) Method

2007 ◽  
Vol 111 (25) ◽  
pp. 5473-5481 ◽  
Author(s):  
Biswajit Saha ◽  
Masahiro Ehara ◽  
Hiroshi Nakatsuji
Keyword(s):  
Excited State ◽  
Configuration Interaction ◽  
Electronic Spectra ◽  
Phenylene Vinylene ◽  
Cluster Configuration

scholarly journals Electronic spectra and photodissociation of vinyl chloride: A symmetry-adapted cluster configuration interaction study

2006 ◽  
Vol 124 (3) ◽  
pp. 034312 ◽  
Author(s):  
Sundaram Arulmozhiraja ◽  
Ryoichi Fukuda ◽  
Masahiro Ehara ◽  
Hiroshi Nakatsuji
Keyword(s):  
Vinyl Chloride ◽  
Configuration Interaction ◽  
Electronic Spectra ◽  
Interaction Study ◽  
Cluster Configuration

The Way of Obtain C3H4O+ Fragments Laser-Induced by Cycloheptanone Ion Excited State

2014 ◽  
Vol 887-888 ◽  
pp. 931-934
Author(s):  
Hong Bin Chen ◽  
Ying Zhu ◽  
Jie Wu
Keyword(s):  
Excited State ◽  
Configuration Interaction ◽  
Theoretical Study ◽  
Vibrational Frequencies ◽  
State Structure ◽  
The Way

Our theoretical study aims to the way of obtain C3H4O+ fragments laser-induced by Cycloheptanone ion (C7H12O+ ) excited state and gives out a result with proved and directed significance for the corresponding experiments. Using the CIS（Configuration Interaction with Single Substitute） method, calculated Cycloheptanone ion excited state structure and vibrational frequencies.

Ground and excited state electronic spectra of perylenediimide dimers with flexible and rigid geometries in DNA conjugates

2014 ◽  
Vol 5 (3) ◽  
pp. 973-981 ◽  
Author(s):  
Prakash P. Neelakandan ◽  
Tarek A. Zeidan ◽  
Martin McCullagh ◽  
George C. Schatz ◽  
Josh Vura-Weis ◽  
...  
Keyword(s):  
Excited State ◽  
Electronic Spectra ◽  
Dna Conjugates

Ground and excited state spectra of co-facial PDI dimers embedded in DNA constructs depend on the geometry imposed by the construct.

Electronic spectra and excited-state dynamics of acridine and its hydrated clusters

2017 ◽  
Vol 146 (13) ◽  
pp. 134311
Author(s):  
Colin Harthcock ◽  
Jie Zhang ◽  
Wei Kong ◽  
Masaaki Mitsui ◽  
Yasuhiro Ohshima
Keyword(s):  
Excited State ◽  
Electronic Spectra ◽  
Excited State Dynamics ◽  
Hydrated Clusters

Steric Effects in the Electronic Spectra of the 3,5-Diarylaminobenzene Derivatives

1986 ◽  
Vol 41 (11) ◽  
pp. 1311-1314 ◽  
Author(s):  
A. Balter ◽  
W. Nowak ◽  
P. Milart ◽  
J. Sepioł
Keyword(s):  
Excited State ◽  
Electronic Spectra ◽  
Fluorescence Properties ◽  
Steric Effects ◽  
Quantum Yields ◽  
Spectroscopic Behaviour ◽  
Fluorescence Quantum Yields ◽  
Excited State Lifetimes ◽  
Methyl Phenyl

Absorption and fluorescence properties, excited state lifetimes and fluorescence quantum yields were determined for a series of 3,5-diarylaminobenzene derivatives in solvents of different polarities. The role of the nitrile, methyl, phenyl and naphthyl substituents is discussed. Especially the steric effects on the spectroscopic behaviour of the investigated molecules are studied.

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