Spontaneous Generation of Stable Pnictinyl Radicals from “Jack-in-the-Box” Dipnictines:  A Solid-State, Gas-Phase, and Theoretical Investigation of the Origins of Steric Stabilization1

2001 ◽  
Vol 123 (37) ◽  
pp. 9045-9053 ◽  
Author(s):  
Sarah L. Hinchley ◽  
Carole A. Morrison ◽  
David W. H. Rankin ◽  
Charles L. B. Macdonald ◽  
Robert J. Wiacek ◽  
...  
Keyword(s):  
Solid State ◽  
Gas Phase ◽  
Theoretical Investigation ◽  
Spontaneous Generation

Excited state proton transfer in 2′-hydroxychalcone derivatives

2017 ◽  
Vol 19 (3) ◽  
pp. 2409-2416 ◽  
Author(s):  
Michael Dommett ◽  
Rachel Crespo-Otero
Keyword(s):  
Excited State ◽  
Solid State ◽  
Proton Transfer ◽  
Gas Phase ◽  
Theoretical Investigation ◽  
Excited State Proton Transfer

ESIPT-active solid-state emitters based on 2-hydroxychalcone are almost non-emissive in solution but emit in the deep red/NIR region when crystalline. A comprehensive theoretical investigation of the gas-phase excited state relaxation pathways in five 2-hydroxychalcone systems is presented, using a combination of static and non-adiabatic simulations.

ChemInform Abstract: Gas Phase to Solid State Evolution of the Electronic and Optical Properties of Conjugated Chains: A Theoretical Investigation

ChemInform ◽  
2001 ◽  
Vol 32 (15) ◽  
pp. no-no
Author(s):  
Jerome Cornil ◽  
Donizetti A. Dos Santos ◽  
David Beljonne ◽  
Zhigang Shuai ◽  
Jean-Luc Bredas
Keyword(s):  
Optical Properties ◽  
Solid State ◽  
Gas Phase ◽  
Theoretical Investigation ◽  
Electronic And Optical Properties ◽  
State Evolution

Gas Phase to Solid State Evolution of the Electronic and Optical Properties of Conjugated Chains: A Theoretical Investigation

1999 ◽  
pp. 87-114
Author(s):  
Jérôme Cornil ◽  
Donizetti A. dos Santos ◽  
David Beljonne ◽  
Zhigang Shuai ◽  
Jean‐Luc Brédas
Keyword(s):  
Optical Properties ◽  
Solid State ◽  
Gas Phase ◽  
Theoretical Investigation ◽  
Electronic And Optical Properties ◽  
State Evolution

Unusual asymmetry in halobenzenes, a solid-state, gas-phase and theoretical investigation

2010 ◽  
Vol 22 (2) ◽  
pp. 279-285 ◽  
Author(s):  
Sarah L. Masters ◽  
Iain D. Mackie ◽  
Derek A. Wann ◽  
Heather E. Robertson ◽  
David W. H. Rankin ◽  
...  
Keyword(s):  
Solid State ◽  
Gas Phase ◽  
Theoretical Investigation

Intramolecular London Dispersion Interaction Effects on Gas-Phase and Solid-State Structures of Diamondoid Dimers

2017 ◽  
Vol 139 (46) ◽  
pp. 16696-16707 ◽  
Author(s):  
Andrey A. Fokin ◽  
Tatyana S. Zhuk ◽  
Sebastian Blomeyer ◽  
Cristóbal Pérez ◽  
Lesya V. Chernish ◽  
...  
Keyword(s):  
Solid State ◽  
Gas Phase ◽  
Interaction Effects ◽  
Dispersion Interaction ◽  
London Dispersion ◽  
Solid State Structures

Experimental and theoretical investigation of gas phase complexes between chloride ion and some chloroethenes

1998 ◽  
Vol 179-180 ◽  
pp. 349-357 ◽  
Author(s):  
Alessandro Bagno ◽  
Anna Donò ◽  
Silvia Martinucci ◽  
Cristina Paradisi ◽  
Gianfranco Scorrano
Keyword(s):  
Gas Phase ◽  
Theoretical Investigation ◽  
Chloride Ion

Theoretical Investigation of Polymorph- and Coformer-Dependent Photoluminescence in Molecular Crystals

CrystEngComm ◽  
2021 ◽  
Author(s):  
Xibo Feng ◽  
Axel D. Becke ◽  
Erin R. Johnson
Keyword(s):  
Solid State ◽  
Theoretical Investigation ◽  
Molecular Crystals ◽  
Research Interest

Polymorph- and coformer-dependent photoluminescence (PL) are among the variety of novel solid-state PL phenomena recently observed in many molecular crystals. They are of particular research interest due to their direct...

ChemInform Abstract: Are the Compounds InH3 and TlH3 Stable Gas Phase or Solid State Species?

ChemInform ◽  
2010 ◽  
Vol 27 (28) ◽  
pp. no-no
Author(s):  
P. HUNT ◽  
P. SCHWERDTFEGER
Keyword(s):  
Solid State ◽  
Gas Phase

Theoretical investigation on gas-phase reaction of CF3CH2OCH3 with OH radicals and fate of alkoxy radicals (CF3CH(O)OCH3/CF3CH2OCH2O)

2014 ◽  
Vol 50 ◽  
pp. 90-99 ◽  
Author(s):  
Bhupesh Kumar Mishra ◽  
Makroni Lily ◽  
Ramesh Chandra Deka ◽  
Asit K. Chandra
Keyword(s):  
Gas Phase ◽  
Theoretical Investigation ◽  
Oh Radicals ◽  
Phase Reaction ◽  
Alkoxy Radicals ◽  
Gas Phase Reaction

Structure and vibrational dynamics of hydrogen bond in hydrogenbissulfate anion in the gas phase and in the solid state: A computational study

2007 ◽  
Vol 844-845 ◽  
pp. 215-221 ◽  
Author(s):  
Katarina Demšar ◽  
Jernej Stare ◽  
Janez Mavri
Keyword(s):  
Hydrogen Bond ◽  
Solid State ◽  
Gas Phase ◽  
Computational Study ◽  
Vibrational Dynamics
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