Thermal, Spectroscopic, and Ab Initio Structural Characterization of Carprofen Polymorphs

Giovanna Bruni; Fabia Gozzo; Doretta Capsoni; Marcella Bini; Piero Macchi; Petra Simoncic; Vittorio Berbenni; Chiara Milanese; Alessandro Girella; Stefania Ferrari; Amedeo Marini

doi:10.1002/jps.22470

Thermal, Spectroscopic, and Ab Initio Structural Characterization of Carprofen Polymorphs

Journal of Pharmaceutical Sciences ◽

10.1002/jps.22470 ◽

2011 ◽

Vol 100 (6) ◽

pp. 2321-2332 ◽

Cited By ~ 10

Author(s):

Giovanna Bruni ◽

Fabia Gozzo ◽

Doretta Capsoni ◽

Marcella Bini ◽

Piero Macchi ◽

...

Keyword(s):

Ab Initio ◽

Structural Characterization

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Structural Characterization of Organocuprate reagents. EXAFS Spectroscopy and ab Initio Calculations

Journal of the American Chemical Society ◽

10.1021/ja00155a013 ◽

1995 ◽

Vol 117 (50) ◽

pp. 12489-12497 ◽

Cited By ~ 49

Author(s):

Timothy L. Stemmler ◽

Terence M. Barnhart ◽

James E. Penner-Hahn ◽

Charles E. Tucker ◽

Paul Knochel ◽

...

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Structural Characterization ◽

Exafs Spectroscopy ◽

Organocuprate Reagents

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Magneto-Structural Characterization of Metallocene-Bridged Nitronyl Nitroxide Diradicals by X-Ray, Magnetic Measurements, Solid-state NMR Spectroscopy, and Ab Initio Calculations

Chemistry - A European Journal ◽

10.1002/chem.200490048 ◽

2004 ◽

Vol 10 (14) ◽

pp. 3354-3354

Author(s):

Christian Sporer ◽

Henrike Heise ◽

Klaus Wurst ◽

Daniel Ruiz-Molina ◽

Holger Kopacka ◽

...

Keyword(s):

Solid State ◽

Nmr Spectroscopy ◽

Ab Initio Calculations ◽

Ab Initio ◽

Structural Characterization ◽

Solid State Nmr ◽

Magnetic Measurements ◽

Nitronyl Nitroxide ◽

X Ray

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Structural characterization of β-2′-pyridylaminocrotonoyl-2-pyridylamide by ESI-MS, NMR, single crystal X-ray analysis and ab initio methods

Journal of Molecular Structure ◽

10.1016/s0022-2860(03)00181-9 ◽

2003 ◽

Vol 654 (1-3) ◽

pp. 61-69 ◽

Cited By ~ 6

Author(s):

Borys Ośmiałowski ◽

Katri Laihia ◽

Elina Virtanen ◽

Maija Nissinen ◽

Erkki Kolehmainen ◽

...

Keyword(s):

Single Crystal ◽

Ab Initio ◽

Structural Characterization ◽

Ab Initio Methods ◽

X Ray ◽

Esi Ms

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Ion Mobility Spectrometry, Infrared Dissociation Spectroscopy, and ab Initio Computations toward Structural Characterization of the Deprotonated Leucine-Enkephalin Peptide Anion in the Gas Phase

The Journal of Physical Chemistry A ◽

10.1021/jp501772d ◽

2014 ◽

Vol 118 (37) ◽

pp. 8453-8463 ◽

Cited By ~ 9

Author(s):

Florian Schinle ◽

Christoph R. Jacob ◽

Arron B. Wolk ◽

Jean-François Greisch ◽

Matthias Vonderach ◽

...

Keyword(s):

Ab Initio ◽

Gas Phase ◽

Ion Mobility Spectrometry ◽

Structural Characterization ◽

Ion Mobility ◽

Leucine Enkephalin ◽

Ab Initio Computations

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Structural characterization of new Cd2+ fluorescent sensor based on lumazine ligand: AM1 and ab initio studies

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2006.12.061 ◽

2007 ◽

Vol 68 (3) ◽

pp. 728-733 ◽

Cited By ~ 24

Author(s):

Na’il Saleh ◽

Abdel-Monem M. Rawashdeh ◽

Yaser A. Yousef ◽

Yaseen A. Al-Soud

Keyword(s):

Ab Initio ◽

Structural Characterization ◽

Fluorescent Sensor

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The Multiphase Nature of the Cu(pz) and Ag(pz) (Hpz = Pyrazole) Systems: Selective Syntheses and Ab-Initio X-ray Powder Diffraction Structural Characterization of Copper(I) and Silver(I) Pyrazolates

Journal of the American Chemical Society ◽

10.1021/ja00096a025 ◽

1994 ◽

Vol 116 (17) ◽

pp. 7668-7676 ◽

Cited By ~ 111

Author(s):

Norberto Masciocchi ◽

Massimo Moret ◽

Paolo Cairati ◽

Angelo Sironi ◽

G. Attilio Ardizzoia ◽

...

Keyword(s):

Ab Initio ◽

Powder Diffraction ◽

Structural Characterization ◽

X Ray

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Structural Characterization of the 1-Butyl-3-methylimidazolium Chloride Ion Pair Using ab Initio Methods

The Journal of Physical Chemistry A ◽

10.1021/jp0547865 ◽

2006 ◽

Vol 110 (6) ◽

pp. 2269-2282 ◽

Cited By ~ 143

Author(s):

Patricia A. Hunt ◽

Ian R. Gould

Keyword(s):

Ab Initio ◽

Structural Characterization ◽

Chloride Ion ◽

Ion Pair ◽

Ab Initio Methods

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Structural characterization of tellurite glasses doped with transition metal oxides using Raman spectra and ab initio calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2005.07.004 ◽

2006 ◽

Vol 64 (1) ◽

pp. 106-115 ◽

Cited By ~ 9

Author(s):

Tarek A. Mohamed ◽

I. Shaltout ◽

K.M. Al Yahyaei

Keyword(s):

Transition Metal ◽

Ab Initio Calculations ◽

Metal Oxides ◽

Ab Initio ◽

Raman Spectra ◽

Structural Characterization ◽

Transition Metal Oxides ◽

Tellurite Glasses

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Structural Characterization of the Silicon Trioxide Radical Cation(SiO3.bul.+) by Fourier-Transform Ion Cyclotron Resonance Mass Spectrometry and ab Initio MO Calculations

Journal of the American Chemical Society ◽

10.1021/ja00097a041 ◽

1994 ◽

Vol 116 (18) ◽

pp. 8300-8303 ◽

Cited By ~ 2

Author(s):

Detlef Stoeckigt ◽

Norman Goldberg ◽

Jan Hrusak ◽

Detlev Suelzle ◽

Helmut Schwarz

Keyword(s):

Mass Spectrometry ◽

Fourier Transform ◽

Ab Initio ◽

Radical Cation ◽

Structural Characterization ◽

Cyclotron Resonance ◽

Ion Cyclotron Resonance ◽

Mo Calculations ◽

Ab Initio Mo Calculations

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Organometallic Precursors for the Formation of GaN by MOCVD: Structural Characterization of (CH3)3GaNH(CH2CH3)2by Gas-Phase Electron Diffraction and ab Initio Molecular Orbital Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp020523o ◽

2002 ◽

Vol 106 (37) ◽

pp. 8762-8768 ◽

Cited By ~ 4

Author(s):

Kirsten Aarset ◽

Carolyn E. Beer ◽

Kolbjørn Hagen ◽

Elizabeth M. Page ◽

David A. Rice

Keyword(s):

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Molecular Orbital ◽

Structural Characterization ◽

Molecular Orbital Calculations ◽

Organometallic Precursors ◽

Gas Phase Electron Diffraction

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