Nature of Optical Excitations in Porphyrin Crystals: A Joint Experimental and Theoretical Study

Maurizia Palummo; Luisa Raimondo; Conor Hogan; Claudio Goletti; Silvia Trabattoni; Adele Sassella

doi:10.1021/acs.jpclett.0c03581

Nature of Optical Excitations in Porphyrin Crystals: A Joint Experimental and Theoretical Study

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.0c03581 ◽

2021 ◽

Vol 12 (2) ◽

pp. 869-875

Author(s):

Maurizia Palummo ◽

Luisa Raimondo ◽

Conor Hogan ◽

Claudio Goletti ◽

Silvia Trabattoni ◽

...

Keyword(s):

Theoretical Study ◽

Optical Excitations

Download Full-text

The fate of optical excitations in small hydrated ZnS clusters: a theoretical study into the effect of hydration on the excitation and localisation of electrons in Zn4S4 and Zn6S6

Physical Chemistry Chemical Physics ◽

10.1039/c1cp20298g ◽

2011 ◽

Vol 13 (20) ◽

pp. 9311 ◽

Cited By ~ 19

Author(s):

Martijn A. Zwijnenburg ◽

Francesc Illas ◽

Stefan T. Bromley

Keyword(s):

Theoretical Study ◽

Optical Excitations

Download Full-text

The fate of optical excitations in small polyhedral ZnS clusters: A theoretical study of the excitation and localization of electrons in Zn4S4and Zn6S6

The Journal of Chemical Physics ◽

10.1063/1.3536501 ◽

2011 ◽

Vol 134 (6) ◽

pp. 064511 ◽

Cited By ~ 19

Author(s):

Martijn A. Zwijnenburg ◽

Carmen Sousa ◽

Francesc Illas ◽

Stefan T. Bromley

Keyword(s):

Theoretical Study ◽

Optical Excitations ◽

Localization Of Electrons

Download Full-text

Theoretical study of optical excitations of linear C4−

Chemical Physics ◽

10.1016/0301-0104(91)89007-w ◽

1991 ◽

Vol 156 (3) ◽

pp. 387-394 ◽

Cited By ~ 12

Author(s):

Ludwik Adamowicz

Keyword(s):

Theoretical Study ◽

Optical Excitations

Download Full-text

The effect of cardiac output changes on end-expired volatile anaesthetic concentrations - a theoretical study

Anaesthesia ◽

10.1046/j.1365-2044.2001.02212.x ◽

2001 ◽

Vol 56 (11) ◽

pp. 1034-1040 ◽

Cited By ~ 11

Author(s):

R. R. Kennedy ◽

A. B. Baker

Keyword(s):

Cardiac Output ◽

Theoretical Study ◽

Volatile Anaesthetic

Download Full-text

Theoretical study of ground and excited state potential energy surfaces for the Ca + -H 2 complex

Molecular Physics ◽

10.1080/002689700162414 ◽

2000 ◽

Vol 98 (7) ◽

pp. 419-427 ◽

Cited By ~ 1

Author(s):

E. Czuchaj, M. Krosnicki, H. Stoll

Keyword(s):

Excited State ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Theoretical Study ◽

State Potential ◽

Energy Surfaces

Download Full-text

RESEARCH NOTE Theoretical study of the CH3 + NS and related reactions: mechanism of HCN formation

Molecular Physics ◽

10.1080/002689799164261 ◽

1999 ◽

Vol 96 (12) ◽

pp. 1817-1822

Author(s):

TRUNG NGOC LE, LOC THANH NGUYEN, MINH THO

Keyword(s):

Theoretical Study ◽

Research Note ◽

Reactions Mechanism

Download Full-text

Molecular Ordering of a Nematogen at Phase Transition Temperature - A Theoretical Study

Phase Transitions ◽

10.1080/01411590290008352a ◽

2002 ◽

Vol 75 (4-5) ◽

pp. 413-421

Author(s):

Durga Prasad Ojha ◽

Devesh Kumar ◽

V.G.K.M. Pisipati

Keyword(s):

Phase Transition ◽

Transition Temperature ◽

Phase Transition Temperature ◽

Theoretical Study ◽

Molecular Ordering

Download Full-text

Theoretical study of C60O2 molecular properties

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04855-5 ◽

1997 ◽

Vol 392 (1) ◽

pp. 217-221 ◽

Cited By ~ 1

Author(s):

S Zhenfeng

Keyword(s):

Theoretical Study ◽

Molecular Properties

Download Full-text

Adsorption of H2O and H2S on the (100) surface of silicon. A theoretical study

Journal de Chimie Physique ◽

10.1051/jcp/1987840799 ◽

1987 ◽

Vol 84 ◽

pp. 799-803 ◽

Cited By ~ 6

Author(s):

Vincenzo Barone ◽

Francesco Lelj ◽

Nino Russo ◽

Marirosa Toscano

Keyword(s):

Theoretical Study

Download Full-text

Theoretical study of the homologous reactions of ground-state oxygen atoms with Br2 and BrCI molecules

Journal de Chimie Physique ◽

10.1051/jcp/1995921214 ◽

1995 ◽

Vol 92 ◽

pp. 1214-1232 ◽

Cited By ~ 1

Author(s):

E Drougas ◽

AM Kosmas

Keyword(s):

Ground State ◽

Theoretical Study ◽

Oxygen Atoms

Download Full-text