Computational Study of Solvent Effects and the Vibrational Spectra of Anderson Polyoxometalates

Adam J. Bridgeman

doi:10.1002/chem.200500802

Computational Study of Solvent Effects and the Vibrational Spectra of Anderson Polyoxometalates

Chemistry - A European Journal ◽

10.1002/chem.200500802 ◽

2006 ◽

Vol 12 (7) ◽

pp. 2094-2102 ◽

Cited By ~ 10

Author(s):

Adam J. Bridgeman

Keyword(s):

Vibrational Spectra ◽

Solvent Effects ◽

Computational Study

Download Full-text

Hydrogen Bonding and Vibrational Spectra in Kaolinite-Dimethylsulfoxide and -Dimethylselenoxide Intercalates–A Solid-State Computational Study

Clays and Clay Minerals ◽

10.1346/ccmn.2009.0570106 ◽

2009 ◽

Vol 57 (1) ◽

pp. 54-71 ◽

Cited By ~ 10

Author(s):

Eva Scholtzová ◽

L'ubomír Smrčok

Keyword(s):

Hydrogen Bonding ◽

Solid State ◽

Vibrational Spectra ◽

Computational Study

Download Full-text

Vibrational spectra and computational study of 3-amino-2-phenyl quinazolin-4(3H)-one

Journal of Molecular Structure ◽

10.1016/j.molstruc.2009.10.026 ◽

2010 ◽

Vol 963 (2-3) ◽

pp. 137-144 ◽

Cited By ~ 30

Author(s):

C. Yohannan Panicker ◽

Hema Tresa Varghese ◽

K.R. Ambujakshan ◽

Samuel Mathew ◽

Subarna Ganguli ◽

...

Keyword(s):

Vibrational Spectra ◽

Computational Study

Download Full-text

Hybrid density functional theory and quadratic complete basis set ab initio computational study of structural properties, vibrational spectra, and bond dissociation energy for methyl aluminum and methyl gallium

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(97)00262-5 ◽

1998 ◽

Vol 428 (1-3) ◽

pp. 61-66 ◽

Cited By ~ 39

Author(s):

Branko S. Jursic

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Vibrational Spectra ◽

Density Functional ◽

Computational Study ◽

Basis Set ◽

Hybrid Density Functional Theory ◽

Functional Theory ◽

Complete Basis Set ◽

Hybrid Density Functional

Download Full-text

RETRACTED: Calculation of electrode potentials of 5-(1,3-dioxo-2-phenyl-indan-2-yl)-2,3-dihydroxy-benzoic acid, molecular structure and vibrational spectra: A combined experimental and computational study

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2006.12.026 ◽

2007 ◽

Vol 807 (1-3) ◽

pp. 137-145 ◽

Cited By ~ 13

Author(s):

Siavash Riahi ◽

Abdolmajid Bayandori Moghaddam ◽

Mohamad Reza Ganjali ◽

Parviz Norouzi ◽

Maryam Latifi

Keyword(s):

Molecular Structure ◽

Benzoic Acid ◽

Vibrational Spectra ◽

Computational Study ◽

Electrode Potentials

Download Full-text

FT-IR SPECTROSCOPIC AND DFT COMPUTATIONAL STUDY ON SOLVENT EFFECTS ON 8-HYDROXY-2-QUINOLINECARBOXYLIC ACID

Оптика и спектроскопия ◽

10.7868/s003040341503006x ◽

2015 ◽

Vol 118 (3) ◽

pp. 385-409

Author(s):

S. Badoğlu ◽

Ş. Yurdakul

Keyword(s):

Solvent Effects ◽

Computational Study ◽

Ft Ir ◽

Ir Spectroscopic ◽

Quinolinecarboxylic Acid

Download Full-text

Computational study of osmabenzyne: The solvent effects on the structure and spectroscopic properties (IR, NMR)

Journal of Structural Chemistry ◽

10.1134/s0022476617070083 ◽

2017 ◽

Vol 58 (7) ◽

pp. 1324-1331 ◽

Cited By ~ 14

Author(s):

F. Zafarnia ◽

R. Ghiasi ◽

S. Jamehbozorgi

Keyword(s):

Solvent Effects ◽

Computational Study ◽

Spectroscopic Properties

Download Full-text

Solvent effects on vibrational spectra of hydrogen-bonded complexes of propanedinitrile (malononitrile) and dimethyl sulfoxide (DMSO): Ab initio and DFT studies

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2007.08.017 ◽

2007 ◽

Vol 823 (1-3) ◽

pp. 65-73 ◽

Cited By ~ 4

Author(s):

Yordanka Dimitrova ◽

Lalka I. Daskalova

Keyword(s):

Ab Initio ◽

Dimethyl Sulfoxide ◽

Vibrational Spectra ◽

Solvent Effects ◽

Dft Studies ◽

Ab Initio And Dft ◽

Bonded Complexes ◽

Hydrogen Bonded

Download Full-text

Carbon Dioxide Insertion into Diamines: A Computational Study of Solvent Effects

ChemSusChem ◽

10.1002/cssc.201200222 ◽

2012 ◽

Vol 5 (10) ◽

pp. 1967-1973 ◽

Cited By ~ 8

Author(s):

Wilhelm A. Eger ◽

Alexander Genest ◽

Bernhard Rieger ◽

Notker Rösch

Keyword(s):

Carbon Dioxide ◽

Solvent Effects ◽

Computational Study

Download Full-text

Experimental and computational study of solvent effects on one- and two-photon absorption spectra of chlorinated harmines

Physical Chemistry Chemical Physics ◽

10.1039/c5cp00773a ◽

2015 ◽

Vol 17 (18) ◽

pp. 12090-12099 ◽

Cited By ~ 15

Author(s):

Dalibor Hršak ◽

Lotte Holmegaard ◽

Anton S. Poulsen ◽

Nanna H. List ◽

Jacob Kongsted ◽

...

Keyword(s):

Absorption Spectra ◽

Solvent Effects ◽

Computational Study ◽

Photon Absorption ◽

Two Photon Absorption ◽

Two Photon ◽

Acetonitrile Solutions

We present a combined experimental and computational study of one- and two-photon absorption spectra of protonated chloroharmines in aqueous and acetonitrile solutions.

Download Full-text

Solvent effects on vibrational spectra of hydrogen-bonded complexes of formaldehyde and water: an ab initio study

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04812-9 ◽

1997 ◽

Vol 391 (3) ◽

pp. 251-257 ◽

Cited By ~ 24

Author(s):

Yordanka Dimitrova

Keyword(s):

Ab Initio ◽

Vibrational Spectra ◽

Solvent Effects ◽

Ab Initio Study ◽

Bonded Complexes ◽

Hydrogen Bonded

Download Full-text