Theoretical treatment of solvent effects on electronic spectroscopy

Keywords

Chemistry, Spectroscopy, Solvent effects, Solvent, Computational chemistry

References

No references recorded for this paper.

Cited by

• Fluorescence probing of complex solvent environments: Polymeric nanocarrier aggregates and rilpivirineK. Steege — 2008
• Dye Probes of Nanoclusters in LiquidsCarl Trindle, Donald D. Shillady, John Michael Craig — 2001
• Probing supercritical water with the n-pi* transition of acetone: a Monte Carlo/quantum mechanics study.Tertius L. Fonseca, Kaline Coutinho, Sylvio Canuto — 2007
• Estudo químico-quântico de propriedades estruturais e eletrônicas de oligofluorenos com potenciais aplicações tecnológicasMelissa Fabíola Siqueira Pinto — 2007
• Asequential Monte Carlo quantum mechanics study of the hydrogen-bond interaction and the solvatochromic shift of the n-pi* transition of acrolein in water.Herbert C. Georg, Kaline Coutinho, Sylvio Canuto — 2005
• THEORETICAL STUDIES ON LOCAL ANESTHETICS : PROCAINE, LIDOCAINE, TETRACAINE, BUPIVACAINE, AND DIBUCAINE NEUTRAL AND MONOPROTONATEDJoaquim Delphino Da Motta Neto, Ricardo Bicca de Alencastro — 1997
• Intramolecular cycloadditions with 1-aminoisobenzofurans: a simple entry into the field of polycyclic aza-compoundsOlaf Peters, Tony Debaerdemaeker, Willy Friedrichsen — 1999
• Calculation of dispersion energy shifts in molecular electronic spectra using sum rulesOsvaldo Goscinski — 2001
• The influence of conformation and energy gaps on optical transition moments in donor acceptor biphenylsMichael Maus, Wolfgang Rettig — 2000
• Time dependent solvation: a new frontier for quantum mechanical continuum modelsBenedetta Mennucci — 2006
• Theoretical Study of Kinetics and Mechanism of Reactions of Hydroxylamine and Amineoxide Anion with Methyl Iodide in Gas and Aqueous PhasesMohammad Haqghu, Mehdi Irani, Mohammad Reza Gholami — 2007
• Incorporating solvation effects into density functional theory: Calculation of absolute aciditiesW. H. Richardson, Chun Peng, Donald Bashford — 1997
• Investigation of the Nile Red spectra by semi‐empirical calculations and spectrophotometric measurementsLauro Camargo Dias, Rogério Custódio, Francisco Benedito Teixeira Pessine — 2006
• Ab initio MO study of the chlorophyll dimer in the photosynthetic reaction center. I. A theoretical treatment of the electrostatic field created by the surrounding proteinsToshihiro Sakuma, Hiroshi Kashiwagi, Toshikazu Takada — 1997
• Effects of conformation, substituents and solvent on molecular hyperpolarizabilities of push–pull diaryl-alkenes and -dienes: a computational studyWalter M. F. Fabian, Renate Dworczak, Hans Junek — 1995
• ELECTRONIC STRUCTURE AND SPECTROSCOPY OF CADMIUM THIOLATE CLUSTERSHui-Jean Liu, Joseph T. Hupp, Mark A. Ratner — 1996
• Theoretical characterization of a multifunctional electrooptical molecular device: Photochemical ring‐opening mechanism of indolinospirobenzopyranAnders Broo — 2000
• Solvent effects within the CS INDO method. Geometrical distortion and solvatochromism of merocyanine dyesI. Baraldi, F. Momicchioli, Glauco Ponterini — 1998
• Empirical treatment of solvent-solute interactions: medium effects on the electronic absorption spectrum of ?-caroteneTakahiro Abe, J.‐L. M. Abboud, F. Belio — 1998
• Theoretical investigation of charge transfer excitation and charge recombination in acenaphthylene–tetracyanoethylene complexHaibo Yi, Xiangyuan Li, Shengyong Yang — 2003

Related papers

• Insight into the solvent effect: a density functional theory study of cisplatin hydrolysis.Tao Song, Pan Hu — 2006
• Carbon Acidity. Part 74. The Effects of Hetero-Substituted Pendant Groups on Carbanion Reactivity. Solvent-Separated-Contact Ion Pair Equilibria and Relative pKLi/THF′s for 9-Substituted Fluorenyllithiums in Tetrahydrofuran. The ImporScott Gronert, Andrew Streitwieser — 1988
• Bond-Breaking Reactions Encounter Distinct Solvent Environments Causing Breakdown of Linear Response.A. Vong, Benjamin J. Schwartz — 2022
• Solvent effects upon the NH vibrational frequencies of phosphoramidesIbáñez W. Fernando, Peña A. Josefina — 1982
• Structure of solvent affects enantioselectivity of lipase-catalyzed transesterificationKaoru Nakamura, Masamichi Kinoshita, Atsuyoshi Ohno — 1995
• A correlated ab initio quantum chemical study of the interaction of the Na+, Mg2+, Ca2+ and Zn2+ ions with the tautomers of cytosine in the presence of polar solvent.I.V. Rostov, Rika Kobayashi — 2013
• Origin of Apparent Slow Solvent Dynamics in Concentrated Polymer SolutionsTill Böhmer, Robin Horstmann, Jan Philipp Gabriel — 2021
• A study of dielectric solvent effect on silicon-29 NMR chemical shifts of some chlorosilanes.Toshio Takayama, Isao Ando, Tetsuo Asakura — 1989
• Solvent effects on 13C and 1H NMR shielding of cyclic ketones: An experimental and theoretical studyNadia Faska, Abdelouahed Auhmani, M. Esseffar — 2007
• Relaxation dynamics of the solvent cage around an excited molecule in solutionA. Declémy, C. Rullière — 2008