ChemInform Abstract: Lewis-Acid Properties of Technetium(VII) Dioxide Trifluoride, TcO2F3: Characterization by 19F, 17O, and 99Tc NMR Spectroscopy and Raman Spectroscopy, Density Functional Theory Calculations of TcO2F3, M+TcO2F-4 [M: Li, Cs, N(CH3)4], an

10.1002/chin.199817002 ◽

2010 ◽

Vol 29 (17) ◽

pp. no-no

Author(s):

W. J. JUN. CASTEEL ◽

D. A. DIXON ◽

N. LEBLOND ◽

H. P. A. MERCIER ◽

G. J. SCHROBILGEN

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Nmr Spectroscopy ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Acid Properties

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Lewis-Acid Properties of Technetium(VII) Dioxide Trifluoride, TcO2F3: Characterization by19F,17O, and99Tc NMR Spectroscopy and Raman Spectroscopy, Density Functional Theory Calculations of TcO2F3, M+TcO2F4-[M = Li, Cs, N(CH3)4], and TcO2F3·CH3CN, and X-ray Crystal Structure of Li+TcO2F4- †

Inorganic Chemistry ◽

10.1021/ic9708935 ◽

1998 ◽

Vol 37 (2) ◽

pp. 340-353 ◽

Author(s):

William J. Casteel ◽

David A. Dixon ◽

Nicolas LeBlond ◽

Hélène P. A. Mercier ◽

Gary J. Schrobilgen

Keyword(s):

Crystal Structure ◽

Density Functional Theory ◽

Raman Spectroscopy ◽

Nmr Spectroscopy ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

X Ray ◽

Acid Properties

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Lewis Acid Behavior of ReO2F3: Synthesis of (ReO2F3)∞, ReO2F4-, Re2O4F7-, Re3O6F10-, and ReO2F3(CH3CN) and Study by NMR Spectroscopy, Raman Spectroscopy, and Density Functional Theory Calculations; and X-ray Structures of [Li][ReO2F4], [K][Re2O4F7], [K][Re2O4F7]·2ReO2F3, [Cs][Re3O6F10], and ReO3F(CH3CN)2·CH3CN†

Inorganic Chemistry ◽

10.1021/ic980695t ◽

1999 ◽

Vol 38 (10) ◽

pp. 2340-2358 ◽

Author(s):

William J. Casteel ◽

David A. Dixon ◽

Nicolas LeBlond ◽

Philippa E. Lock ◽

Hélène P. A. Mercier ◽

...

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Nmr Spectroscopy ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

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ChemInform Abstract: Lewis Acid Behavior of ReO2F3: Synthesis of (ReO2F3)∞, ReO2F4-, Re2O4F7-, Re3O6F10-, and ReO2F3(CH3CN) and Study by NMR Spectroscopy, Raman Spectroscopy, and Density Functional Theory Calculations; and X-Ray Structures of [Li][ReO2F4]

10.1002/chin.199929017 ◽

2010 ◽

Vol 30 (29) ◽

pp. no-no

Author(s):

William J. Casteel Jr. ◽

David A. Dixon ◽

Nicolas LeBlond ◽

Philippa E. Lock ◽

Helene P. A. Mercier ◽

...

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Nmr Spectroscopy ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

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The Osmium(VIII) Oxofluoro Cations OsO2F3+and F(cis-OsO2F3)2+: Syntheses, Characterization by19F NMR Spectroscopy and Raman Spectroscopy, X-ray Crystal Structure of F(cis-OsO2F3)2+Sb2F11-, and Density Functional Theory Calculations of OsO2F3+, ReO2F3, and F(cis-OsO2F3)2+ †

Inorganic Chemistry ◽

10.1021/ic951059n ◽

1996 ◽

Vol 35 (15) ◽

pp. 4310-4322 ◽

Author(s):

William J. Casteel ◽

David A. Dixon ◽

Hélène P. A. Mercier ◽

Gary J. Schrobilgen

Keyword(s):

Crystal Structure ◽

Density Functional Theory ◽

Raman Spectroscopy ◽

Nmr Spectroscopy ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

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Raman, Infrared, and Surface-Enhanced Raman Spectroscopy in Combination with ab Initio and Density Functional Theory Calculations on 10-Isopropyl-10H-phenothiazine-5-oxide

The Journal of Physical Chemistry A ◽

10.1021/jp021731j ◽

2003 ◽

Vol 107 (11) ◽

pp. 1811-1818 ◽

Author(s):

M. Bolboaca ◽

T. Iliescu ◽

Cs. Paizs ◽

F. D. Irimie ◽

W. Kiefer

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Ab Initio ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Surface Enhanced Raman Spectroscopy ◽

Functional Theory ◽

Surface Enhanced ◽

Surface Enhanced Raman

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Stability and Raman Spectroscopy of Alkane Guest Molecules (CnHm, n≤6, m≤14) in 51262 and 51264 Water Cavities by Density Functional Theory Calculations

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb201405292 ◽

2014 ◽

Vol 30 (8) ◽

pp. 1437-1446 ◽

Author(s):

CAO Xiao-Xiao ◽

◽

SU Yan ◽

ZHAO Ji-Jun ◽

LIU Chang-Ling ◽

...

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Guest Molecules

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Investigation of the cis–trans structures and isomerization of oligoprolines by using Raman spectroscopy and density functional theory calculations: solute–solvent interactions and effects of terminal positively charged amino acid residues

RSC Advances ◽

10.1039/d0ra05746k ◽

2020 ◽

Vol 10 (57) ◽

pp. 34493-34500

Author(s):

Mei-Chun Huang ◽

Wei-Hao Chen ◽

Chen-Wei Huang ◽

Kuei-Yen Huang ◽

Jia-Cherng Horng ◽

...

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Density Functional ◽

Theoretical Calculations ◽

Density Functional Theory Calculations ◽

State Density ◽

Amino Acid Residues ◽

Functional Theory ◽

Solvent Interactions ◽

Positively Charged

The low-wavenumber Raman spectra in combination with theoretical calculations via solid-state density functional theory (DFT)-D3 are displayed. The vibrational structures and interaction with solvent of poly-l-proline and the oligoproline P12 series are identified.

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Conformational Studies of Poly(9,9-dialkylfluorene)s in Solution Using NMR Spectroscopy and Density Functional Theory Calculations

The Journal of Physical Chemistry B ◽

10.1021/jp902666e ◽

2009 ◽

Vol 113 (35) ◽

pp. 11808-11821 ◽

Author(s):

Licínia L. G. Justino ◽

M. Luísa Ramos ◽

Paulo E. Abreu ◽

Rui A. Carvalho ◽

Abilio J. F. N. Sobral ◽

...

Keyword(s):

Density Functional Theory ◽

Nmr Spectroscopy ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Conformational Studies

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Infrared and Raman Spectroscopy of Bis(4,4-dimethyl-2,5-cyclohexadien-1-ylidene). Vibrational Assignment by Hartree−Fock and Density Functional Theory Calculations and Depolarization Method

The Journal of Physical Chemistry A ◽

10.1021/jp973260k ◽

1998 ◽

Vol 102 (16) ◽

pp. 2679-2684 ◽

Author(s):

Bong Hyun Boo ◽

Sang Yeon Lee ◽

Hoon-Kyun Na

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Vibrational Assignment ◽

Functional Theory ◽

Hartree Fock ◽

Infrared And Raman Spectroscopy

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Adducts of nitrogenous ligands with rhodium(II) tetracarboxylates and tetraformamidinate: NMR spectroscopy and density functional theory calculations

Magnetic Resonance in Chemistry ◽

10.1002/mrc.4035 ◽

2013 ◽

Vol 52 (3) ◽

pp. 61-68 ◽

Author(s):

Piotr Cmoch ◽

Rafał Głaszczka ◽

Jarosław Jaźwiński ◽

Bohdan Kamieński ◽

Elżbieta Senkara

Keyword(s):

Density Functional Theory ◽

Nmr Spectroscopy ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory

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