13C Chemical Shift Tensors in Hypoxanthine and 6-Mercaptopurine: Effects of Substitution, Tautomerism, and Intermolecular Interactions

Kateřina Maliňáková; Lucie Novosadová; Manu Lahtinen; Erkki Kolehmainen; Jiří Brus; Radek Marek

doi:10.1021/jp9100619

13C Chemical Shift Tensors in Hypoxanthine and 6-Mercaptopurine: Effects of Substitution, Tautomerism, and Intermolecular Interactions

The Journal of Physical Chemistry A ◽

10.1021/jp9100619 ◽

2010 ◽

Vol 114 (4) ◽

pp. 1985-1995 ◽

Cited By ~ 26

Author(s):

Kateřina Maliňáková ◽

Lucie Novosadová ◽

Manu Lahtinen ◽

Erkki Kolehmainen ◽

Jiří Brus ◽

...

Keyword(s):

Chemical Shift ◽

Intermolecular Interactions ◽

Chemical Shift Tensors ◽

13C Chemical Shift

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ChemInform Abstract: The Carbonyl 13C Chemical Shift Tensors of Five Peptides Determined from 15N Dipole-Coupled Chemical Shift Powder Patterns.

ChemInform ◽

10.1002/chin.198803051 ◽

1988 ◽

Vol 19 (3) ◽

Author(s):

T. G. OAS ◽

C. J. HARTZELL ◽

T. J. MCMAHON ◽

G. P. DROBNY ◽

F. W. DAHLQUIST

Keyword(s):

Chemical Shift ◽

Chemical Shift Tensors ◽

13C Chemical Shift

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Intermolecular Interactions in Crystalline Theobromine as Reflected in Electron Deformation Density and 13C NMR Chemical Shift Tensors

Journal of Chemical Theory and Computation ◽

10.1021/ct400209b ◽

2013 ◽

Vol 9 (6) ◽

pp. 2629-2638 ◽

Cited By ~ 16

Author(s):

Kateřina Bouzková ◽

Martin Babinský ◽

Lucie Novosadová ◽

Radek Marek

Keyword(s):

Chemical Shift ◽

Intermolecular Interactions ◽

13C Nmr ◽

Nmr Chemical Shift ◽

Chemical Shift Tensors ◽

Deformation Density

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ChemInform Abstract: 13C Chemical Shift Tensors in Aromatic Compounds. Part 4. Substituted Naphthalenes.

ChemInform ◽

10.1002/chin.199231036 ◽

2010 ◽

Vol 23 (31) ◽

pp. no-no

Author(s):

A. M. ORENDT ◽

N. K. SETHI ◽

J. C. FACELLI ◽

W. J. HORTON ◽

R. J. PUGMIRE ◽

...

Keyword(s):

Chemical Shift ◽

Aromatic Compounds ◽

Chemical Shift Tensors ◽

13C Chemical Shift

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Carbonates, Thiocarbonates, and the Corresponding Monoalkyl Derivatives: III. The 13C Chemical Shift Tensors in Potassium Carbonate, Bicarbonate and Related Monomethyl Derivatives

Solid State Nuclear Magnetic Resonance ◽

10.1006/snmr.2002.0061 ◽

2002 ◽

Vol 22 (1) ◽

pp. 29-49 ◽

Cited By ~ 20

Author(s):

Dirk Stueber ◽

Anita M. Orendt ◽

Julio C. Facelli ◽

Robert W. Parry ◽

David M. Grant

Keyword(s):

Chemical Shift ◽

Potassium Carbonate ◽

Chemical Shift Tensors ◽

13C Chemical Shift

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ChemInform Abstract: 13C Chemical-Shift Tensors in Single-Crystal Methoxybenzenes

ChemInform ◽

10.1002/chin.198911042 ◽

1989 ◽

Vol 20 (11) ◽

Author(s):

C. M. CARTER ◽

J. C. FACELLI ◽

D. W. ALDERMAN ◽

D. M. GRANT ◽

N. K. DALLEY ◽

...

Keyword(s):

Chemical Shift ◽

Single Crystal ◽

Chemical Shift Tensors ◽

13C Chemical Shift

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DFT calculations of the 1H chemical shifts and 13C chemical shift tensors of retinal isomers

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2004.09.019 ◽

2004 ◽

Vol 711 (1-3) ◽

pp. 141-147 ◽

Cited By ~ 6

Author(s):

Sylvia I.E. Touw ◽

Huub J.M. de Groot ◽

Francesco Buda

Keyword(s):

Chemical Shift ◽

Dft Calculations ◽

Chemical Shifts ◽

Chemical Shift Tensors ◽

13C Chemical Shift ◽

Retinal Isomers

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13C chemical shift tensors and secondary structure of poly-L-alanine by solid-state two-dimensional spin-echo NMR andab initio chemical shielding calculation

Magnetic Resonance in Chemistry ◽

10.1002/(sici)1097-458x(199904)37:4<303::aid-mrc440>3.0.co;2-w ◽

1999 ◽

Vol 37 (4) ◽

pp. 303-311 ◽

Cited By ~ 8

Author(s):

Naoki Asakawa ◽

Masatoshi Takenoiri ◽

Daisuke Sato ◽

Minoru Sakurai ◽

Yoshio Inoue

Keyword(s):

Solid State ◽

Chemical Shift ◽

Secondary Structure ◽

Spin Echo ◽

Two Dimensional ◽

Chemical Shielding ◽

Chemical Shift Tensors ◽

13C Chemical Shift

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13C chemical shift tensors of hydrogen bonded amino acids: Relations between experimental and calculated results

Chemical Physics ◽

10.1016/j.chemphys.2005.08.058 ◽

2006 ◽

Vol 323 (2-3) ◽

pp. 231-242 ◽

Cited By ~ 10

Author(s):

Marek Ilczyszyn ◽

Dorota Godzisz ◽

Maria M. Ilczyszyn ◽

Krzysztof Mierzwicki

Keyword(s):

Amino Acids ◽

Chemical Shift ◽

Chemical Shift Tensors ◽

13C Chemical Shift ◽

Hydrogen Bonded

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ChemInform Abstract: 13C Chemical Shift Tensors in Aromatic Compounds. Part 3. Phenanthrene and Triphenylene.

ChemInform ◽

10.1002/chin.199231035 ◽

2010 ◽

Vol 23 (31) ◽

pp. no-no

Author(s):

A. SODERQUIST ◽

C. D. HUGHES ◽

W. J. HORTON ◽

J. C. FACELLI ◽

D. M. GRANT

Keyword(s):

Chemical Shift ◽

Aromatic Compounds ◽

Chemical Shift Tensors ◽

13C Chemical Shift

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ChemInform Abstract: Determination of the 15N and 13C Chemical Shift Tensors of L-(13C)Alanyl-L-(15N)alanine from the Dipole-Coupled Powder Patterns.

ChemInform ◽

10.1002/chin.198803053 ◽

1988 ◽

Vol 19 (3) ◽

Author(s):

C. J. HARTZELL ◽

M. WHITFIELD ◽

T. G. OAS ◽

G. P. DROBNY

Keyword(s):

Chemical Shift ◽

Chemical Shift Tensors ◽

13C Chemical Shift

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