NMR—basic principles and progress, vol. 35.Ab initio Calculations of conformational effects on13C NMR spectra of amorphous polymers Editors P. Diehl, E. Fluck, H. Günther and R. Kosfeld. Springer-Verlag, Berlin, 1997, DM 128.00. ISBN 3 540 62010 9

Ab Initio Calculations of Conformational Effects on 13C NMR Spectra of Amorphous Polymers

10.1007/978-3-642-60644-1 ◽

1997 ◽

Cited By ~ 5

Author(s):

R. Born ◽

H. W. Spiess

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

13C Nmr ◽

Nmr Spectra ◽

Amorphous Polymers ◽

13C Nmr Spectra ◽

Ab Initio Calculations of Conformational Effects on 13C NMR Spectra of Amorphous Polymers - NMR Basic Principles and Progress ◽

Ab Initio Calculations of Conformational Effects on 13C NMR Spectra of Amorphous Polymers

10.1007/978-3-642-60644-1_1 ◽

1997 ◽

pp. 1-121 ◽

Cited By ~ 5

Author(s):

R. Born ◽

H. W. Spiess

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

13C Nmr ◽

Nmr Spectra ◽

Amorphous Polymers ◽

13C Nmr Spectra ◽

Tautomers and conformers of malonamide, NH 2 -C(O)-CH 2 -C(O)-NH 2 : vibrational analysis, NMR spectra and ab initio calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/s1386-1425(99)00276-0 ◽

2000 ◽

Vol 56 (8) ◽

pp. 1533-1541 ◽

Cited By ~ 14

Author(s):

M.M. Schiavoni ◽

H.-G. Mack ◽

S.E. Ulic ◽

C.O. Della Védova

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Nmr Spectra ◽

Vibrational Analysis

The vibrational and NMR spectra, conformations and ab initio calculations of phenylaminomethylene- and 1-phenylaminoethylidene-propanedinitrile

10.1016/s0022-2860(98)00889-8 ◽

1999 ◽

Vol 482-483 ◽

pp. 615-620 ◽

Cited By ~ 3

Author(s):

A. Gatial ◽

V. Milata ◽

L. Zalibera ◽

S. Biskupič ◽

R. Salzer

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Nmr Spectra

The vibrational and NMR spectra, conformations and ab initio calculations of 1-aminoethylidene propanedinitrile and its N -methyl derivatives

10.1016/s0022-2860(99)00212-4 ◽

1999 ◽

Vol 509 (1-3) ◽

pp. 67-92 ◽

Cited By ~ 8

Author(s):

A. Gatial ◽

Š. Sklenák ◽

V. Milata ◽

S. Biskupič ◽

R. Salzer ◽

...

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Nmr Spectra ◽

Methyl Derivatives

Raman, infrared and NMR spectra, conformational stability and ab initio calculations of trimethoxyborane

Journal of Raman Spectroscopy ◽

10.1002/jrs.1250241103 ◽

1993 ◽

Vol 24 (11) ◽

pp. 725-735 ◽

Cited By ~ 3

Author(s):

E. J. Stampf ◽

Young H. Kim ◽

J. R. Durig

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Nmr Spectra ◽

Conformational Stability

On the conformations of the malonyl chloride methyl and ethyl esters, ClC(O)CH2C(O)OCH3 and ClC(O)CH2C(O)OC2H5: Vibrational analyses, 1H NMR spectra and ab initio calculations

10.1016/0022-2860(96)09319-2 ◽

1996 ◽

Vol 382 (3) ◽

pp. 155-162 ◽

Cited By ~ 1

Author(s):

M.M. Schiavoni ◽

H.-G. Mack ◽

C.O.Della Védova

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

1H Nmr ◽

Nmr Spectra ◽

1H Nmr Spectra ◽

Ethyl Esters ◽

Chloride Methyl

Conformational studies of 3-aminomethylene-2,4-pentanedione using vibrational and NMR spectra, and ab initio calculations

10.1016/j.molstruc.2006.12.023 ◽

2007 ◽

Vol 843 (1-3) ◽

pp. 1-13 ◽

Cited By ~ 7

Author(s):

M. Gróf ◽

A. Gatial ◽

V. Milata ◽

N. Prónayová ◽

L. Sümmchen ◽

...

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Nmr Spectra ◽

Conformational Studies

Ab initio calculations of conformational effects in saturated cyclic amines

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(96)04476-4 ◽

1996 ◽

Vol 365 (1) ◽

pp. 21-27 ◽

Cited By ~ 12

Author(s):

Mladen Ladika ◽

Nelson G. Rondan

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Cyclic Amines ◽

Conformational Effects and Configurational Splitting in 13C NMR Spectra of Synthetic Polymers As Investigated by ab Initio Individual Gauges for Localized Molecular Orbitals (IGLO) Calculations

Macromolecules ◽

10.1021/ma00127a028 ◽

1995 ◽

Vol 28 (23) ◽

pp. 7785-7795 ◽

Cited By ~ 22

Author(s):

R. Born ◽

H. W. Spiess

Keyword(s):

Ab Initio ◽

13C Nmr ◽

Nmr Spectra ◽

Synthetic Polymers ◽

Molecular Orbitals ◽

13C Nmr Spectra ◽

Localized Molecular Orbitals ◽