Bidimensional electronic spectroscopy on indole in gas phase and in water from first principles

Another key chapter, examining reactions in solution. Starting with the definition of an ideal solution, and then introducing Raoult’s law and Henry’s law, this chapter then draws on the results of Chapter 14 (gas phase equilibria) to derive the corresponding results for equilibria in an ideal solution. A unique feature of this chapter is the analysis of coupled reactions, once again using first principles to show how the coupling of an endergonic reaction to a suitable exergonic reaction results in an equilibrium mixture in which the products of the endergonic reaction are present in much higher quantity. This demonstrates how coupled reactions can cause entropy-reducing events to take place without breaking the Second Law, so setting the scene for the future chapters on applications of thermodynamics to the life sciences, especially chapter 24 on bioenergetics.

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Excited state and charge transfer dynamics in gas phase molecule of CH3NH3PbI3: first-principles study

Journal of Molecular Modeling ◽

10.1007/s00894-020-04635-7 ◽

2021 ◽

Vol 27 (2) ◽

Author(s):

Nitika ◽

Shiv Kumar Dixit ◽

Haider Abbas

Keyword(s):

Excited State ◽

Charge Transfer ◽

Gas Phase ◽

First Principles ◽

First Principles Study ◽

Charge Transfer Dynamics

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Tracking Conformational Dynamics of Polypeptides by Nonlinear Electronic Spectroscopy of Aromatic Residues: A First-Principles Simulation Study

ChemPhysChem ◽

10.1002/cphc.201402374 ◽

2014 ◽

Vol 15 (15) ◽

pp. 3282-3290 ◽

Cited By ~ 20

Author(s):

Artur Nenov ◽

Silvio a Beccara ◽

Ivan Rivalta ◽

Giulio Cerullo ◽

Shaul Mukamel ◽

...

Keyword(s):

Simulation Study ◽

First Principles ◽

Conformational Dynamics ◽

Electronic Spectroscopy ◽

Aromatic Residues

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The identification of In2O in the gas phase by high resolution electronic spectroscopy

The Journal of Chemical Physics ◽

10.1063/1.474786 ◽

1997 ◽

Vol 107 (11) ◽

pp. 4439-4442 ◽

Cited By ~ 5

Author(s):

Nicholas M. Lakin ◽

Ger van den Hoek ◽

Ian R. Beattie ◽

John M. Brown

Keyword(s):

High Resolution ◽

Gas Phase ◽

Electronic Spectroscopy

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Rotationally resolved electronic spectroscopy of some divinylbenzenes in the gas phase. Platt’s rule revisited

Chemical Physics ◽

10.1016/s0301-0104(02)00641-9 ◽

2002 ◽

Vol 283 (1-2) ◽

pp. 279-287 ◽

Cited By ~ 5

Author(s):

Tri V Nguyen ◽

Jason W Ribblett ◽

David W Pratt

Keyword(s):

Gas Phase ◽

Electronic Spectroscopy

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Electronic Spectroscopy of Differential Mobility selected Prototropic Isomers of Protonated Para-Aminobenzoic Acid

Physical Chemistry Chemical Physics ◽

10.1039/d1cp02120f ◽

2021 ◽

Author(s):

Neville Coughlan ◽

Weiqiang Fu ◽

Mircea Guna ◽

Bradley Schneider ◽

Yves Le Blanc ◽

...

Keyword(s):

Gas Phase ◽

Electronic Spectroscopy ◽

Aprotic Solvents ◽

Aminobenzoic Acid ◽

Differential Mobility

Para-aminobenzoic acid (PABA) was electrosprayed from mixtures of protic and aprotic solvents, leading to formation of two prototropic isomers in the gas phase whose relative populations depended on the composition...

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