Electric properties of the low-lying excited states of benzonitrile: geometry relaxation and solvent effects

2015 ◽  
Vol 134 (6) ◽  
Author(s):  
Miroslav Medveď ◽  
Šimon Budzák ◽  
Tadeusz Pluta
Keyword(s):  
Excited States ◽  
Solvent Effects ◽  
Electric Properties

STRUCTURAL AND SOLVENT EFFECTS ON THE n → π*(′U ← ′A) TRANSITIONS IN ALIPHATIC CARBONYL DERIVATIVES: EVIDENCE FOR HYPERCONJUGATION IN THE ELECTRONICALLY EXCITED STATES OF MOLECULES

1960 ◽  
Vol 38 (12) ◽  
pp. 2508-2513 ◽  
Author(s):  
C. N. R. Rao ◽  
G. K. Goldman ◽  
A. Balasubramanian
Keyword(s):  
Hydrogen Bonding ◽  
Carbonyl Group ◽  
Excited States ◽  
Solvent Effects ◽  
Electronically Excited States ◽  
Carbonyl Derivatives ◽  
Alkyl Groups ◽  
Electronically Excited

The n → π* transition of the carbonyl group has been studied in solvents of varying degree of polarity and hydrogen-bonding ability, in a number of aliphatic carbonyl derivatives. Evidence for hyperconjugation of the alkyl groups in the electronically excited states of molecules has been presented.

Solvent Effects on Nonradiative Relaxation Dynamics of Low-Energy Ligand-Field Excited States: A CuCl42– Complex

2017 ◽  
Vol 121 (17) ◽  
pp. 4562-4568 ◽  
Author(s):  
Andrey S. Mereshchenko ◽  
Olesya S. Myasnikova ◽  
Maxim S. Panov ◽  
Vladimir A. Kochemirovsky ◽  
Mikhail Yu. Skripkin ◽  
...  
Keyword(s):  
Excited States ◽  
Solvent Effects ◽  
Low Energy ◽  
Ligand Field ◽  
Relaxation Dynamics ◽  
Nonradiative Relaxation

MP2, DFT-D, and PCM study of the HMB–TCNE complex: Thermodynamics, electric properties, and solvent effects

2008 ◽  
Vol 108 (9) ◽  
pp. 1533-1545 ◽  
Author(s):  
Ondrej Kysel ◽  
Šimon Budzák ◽  
Miroslav Medveď ◽  
Pavel Mach
Keyword(s):  
Solvent Effects ◽  
Electric Properties

Solvent Effects on Molecular Electric Properties

2017 ◽  
pp. 741-794 ◽  
Author(s):  
Miroslav Medved’ ◽  
Šimon Budzák ◽  
Wojciech Bartkowiak ◽  
Heribert Reis
Keyword(s):  
Solvent Effects ◽  
Electric Properties

Solvent effects on lower excited states of N-methyl-1,2,3,4-tetrahydroisoquinoline

1991 ◽  
Vol 95 (17) ◽  
pp. 6441-6446 ◽  
Author(s):  
Nobuaki Kanamaru ◽  
Jiro Tanaka
Keyword(s):  
Excited States ◽  
Solvent Effects

Solvent Effects on the Low-Lying Excited States of a Model of Retinal

2006 ◽  
Vol 110 (36) ◽  
pp. 18064-18071 ◽  
Author(s):  
Aurora Muñoz Losa ◽  
Ignacio Fdez. Galván ◽  
M. Elena Martín ◽  
Manuel A. Aguilar
Keyword(s):  
Excited States ◽  
Solvent Effects

Solvent effects on the adiabatic free energy difference between the ground and excited states of methylindole in water

1991 ◽  
Vol 95 (18) ◽  
pp. 6756-6758 ◽  
Author(s):  
Ronald M. Levy ◽  
John D. Westbrook ◽  
Douglas B. Kitchen ◽  
Karsten Krogh-Jespersen
Keyword(s):  
Free Energy ◽  
Excited States ◽  
Solvent Effects ◽  
Energy Difference ◽  
Free Energy Difference
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