عنوان

Modeling NMR chemical shifts :

شابک

0841236224

شابک

9780841236226

شابک اشتباه

0841217254

شابک اشتباه

9780841217256

شماره

b768432

عنوان اصلي

Modeling NMR chemical shifts :

نام عام مواد

[Book]

ساير اطلاعات عنواني

gaining insights into structure and environment /

نام نخستين پديدآور

Julio C. Facelli, editor, Angel C. de Dios, editor.

محل نشرو پخش و غیره

[New York] :

نام ناشر، پخش کننده و غيره

Distributed by Oxford University Press,

تاریخ نشرو بخش و غیره

©1999.

نام خاص و کميت اثر

x, 373 pages :

ساير جزييات

illustrations ;

ابعاد

24 cm

عنوان فروست

ACS symposium series ;

مشخصه جلد

732

متن يادداشت

Developed from the Second International Symposium on NMR Chemical Shifts held at the 216th National Meeting of the American Chemical Society, Boston, Mass., Aug. 23-26, 1998 and sponsored by the Divisions of Computers in Chemistry and Physical Chemistry.

متن يادداشت

Includes bibliographical references and indexes.

متن يادداشت

Recent advances in nuclear magnetic shielding theory and computational methods / Cynthia J. Jameson -- Modeling NMR chemical shifts in polymers and amorphous matter / Isao Ando, Shigeki Kuroki, Hiromichi Kurosu, Masahito Uchida, and Takeshi Yamanobe -- NMR and quantum chemistry of proteins and model systems / Christina M. Szabo, Lori K. Sanders, William Arnold, Joshua S. Grimley, Nathalie Godbout, Michael T. McMahon, Benjamin Moreno, and Eric Oldfield -- NMR in catalysis : theoretical and experimental approaches / John B. Nicholas and James F. Haw -- Effects of a static electric field on molecular magnetic properties employing the CTOCD method : shielding polarizabilities of CO, H₂O, and CH₄ compounds / M.B. Ferraro, M.C. Caputo, and C. Ridruejo -- Extremely fast calculation of ¹³C chemical shift tensors using the bond polarization theory / Ulrich Sternberg and Wolfram Priess -- Covering the entire periodic table : relativistic density functional calculations of NMR chemical shifts in diamagnetic actinide compounds / Georg Schreckenbach, Stephen K. Wolff, and Tom Ziegler -- The effect of electron correlation on the ¹⁹F chemical shifts in fluorobenzenes / Peter B. Karadakov, Graham A. Webb, and James A. England -- ¹⁷O NMR chemical shifts in peptides / S. Kuroki, K. Yamauchi, Hiromichi Kurosu, S. Ando, Isao Ando, A. Shoji, and T. Ozaki -- A conformational study of the L-alanine residue in polypeptides by ab initio ¹³C NMR shielding calculation / Hiromichi Kurosu, Kouji Fukuyama, Shigeki Kuroki, and Isao Ando -- ¹³C chemical shift-conformation relationship in the chromophores of rhodopsin and bacteriorhodopsin / Minoru Sakurai, Mitsuhito Wada, Hirohiko Houjou, Naoki Asakawa, and Yoshio Inoue -- Modeling of the ¹⁵N and ¹³C chemical shift tensors in purine / Julio C. Facelli, Jian Zhi Hu, Mark S. Solum, Ronald J. Pugmire, and David M. Grant -- Effects of hydrogen bonding on ¹H chemical shifts / Yufeng Wei and Ann E. McDermott -- An empirical analysis of proton chemical shifts in nucleic acids / Annick Dejaegere, Richard A. Bryce, and David A. Case -- A new proton NMR shielding model for alkenes / Ned H. Martin, Noah W. Allen, III, Everett K. Minga, Sal T. Ingrassia, and Justin D. Brown -- The NMR chemical shift : local geometry effects / Angel C. de Dios, Jennifer L. Roach, and Ann E. Walling -- Correlations between transition-metal NMR chemical shifts and reactivities / M. Bühl -- Calculated chemical shielding tensors as an aid to elucidating the method of attachment of alkoxysilanes to magnesium chloride / E.A. Moore and N.J. Clayden -- Aluminum magnetic shielding tensors and electric field gradients for aluminum(I) hydride, aluminum(I) isocyanide, and the aluminum(I) halides : ab initio calculations / Myrlene Gee and Roderick E. Wasylishen -- Modeling ¹⁷O NMR tensors (efg and chemical shifts) in oxides and polyoxometallates / Marc Henry -- Local and long-range effects on NMR shieldings in main-group metal oxides and nitrides / J.A. Tossell -- Ab initio calculations of ³¹P NMR chemical shielding anisotropy tensors in phosphates : the effect of geometry on shielding / Todd M. Alam -- Application of nuclear shielding surfaces to the fundamental understanding of adsorption and diffusion in microporous solids / Cynthia J. Jameson, A. Keith Jameson, Angel C. de Dios, Rex E. Gerald, II, Hyung-Mi Lim, and Pavel Kostikin.

بدون عنوان

0

عنوان

Modeling NMR chemical shifts.

عنوان اصلي به زبان ديگر

Modeling nuclear magnetic resonance chemical shifts

موضوع مستند نشده

Molecular structure, Congresses.

موضوع مستند نشده

Nuclear magnetic resonance spectroscopy, Congresses.

موضوع مستند نشده

Spectroscopie de la résonance magnétique nucléaire-- Congrès.

موضوع مستند نشده

Structure moléculaire-- Congrès.

موضوع مستند نشده

Chemische Verschiebung

موضوع مستند نشده

Espectroscopia (congressos)

موضوع مستند نشده

Kongress

موضوع مستند نشده

Molecular structure.

موضوع مستند نشده

NMR-Spektroskopie

موضوع مستند نشده

Nuclear magnetic resonance spectroscopy.

موضوع مستند نشده

Ressonância magnética nuclear (congressos)

موضوع مستند نشده

Spectrocopie de la résonance magnétique nucléaire.

موضوع مستند نشده

Structure moléculaire.

موضوع مستند نشده

X300

شماره

ويراست

شماره رده

نشانه اثر

شماره رده

شماره رده

کد سيستم

کد سيستم

مستند نام اشخاص تاييد نشده

Dios, Angel C. de.

مستند نام اشخاص تاييد نشده

Facelli, Julio C.

مستند نام تنالگان تاييد نشده

International Symposium on NMR Chemical Shifts(2nd :1998 :, Boston, Mass.)

مستند نام تنالگان تاييد نشده

American Chemical Society., Division of Computers in Chemistry.

مستند نام تنالگان تاييد نشده

American Chemical Society., Division of Physical Chemistry.

مستند نام تنالگان تاييد نشده

American Chemical Society., Meeting(216th :1998 :, Boston, Mass.)

تاريخ عمليات

20201206140228.0

نام الکترونيکي

نوع ماده

[Book]

تكميل شده

Y