Conformational analysis of N-methylacetamide molecule in the ground and excited electronic states

[1]  N. V. Tukachev,et al.  Conformational analysis of N-methylformamide in ground S0 and excited S1 and T1 electronic states , 2016 .

[2]  N. V. Tukachev,et al.  Structure and conformational dynamics of formamide molecule in the ground and lowest excited electronic states , 2016 .

[3]  O. Zefirova,et al.  Vibrational spectra and stable conformations of N-methylacetamide and (1S,5S,6R)-6-acetylamino-(5′-methoxyindolo[2,3-b])bicyclo[3.2.1]oct-2-ene , 2014, Russian Journal of Physical Chemistry.

[4]  P. Bouř,et al.  Spectroscopic properties of the nonplanar amide group: a computational study. , 2007, Chirality.

[5]  J. Straub,et al.  Quantum dynamics of N-methylacetamide studied by the vibrational configuration interaction method , 2007, 0706.1905.

[6]  J. Bowman,et al.  Full dimensional quantum calculations of vibrational energies of N-methyl acetamide. , 2007, The journal of physical chemistry. A.

[7]  C. Scheurer,et al.  Reducing the vibrational coupling network in N-methylacetamide as a model for ab initio infrared spectra computations of peptides , 2006 .

[8]  J. T. Hougen,et al.  Dynamical structure of peptide molecules. , 2006, Accounts of chemical research.

[9]  J. Hougen,et al.  Analysis and fit of the Fourier-transform microwave spectrum of the two-top molecule N-methylacetamide , 2004 .

[10]  A. Hagler,et al.  Density function studies of peptides , 2002 .

[11]  D. N. Sathyanarayana,et al.  Ab initio studies on geometry and vibrational spectra of N-methyl formamide and N-methylacetamide , 2002 .

[12]  J. Bravo,et al.  Can we predict the conformational preference of amides , 2001 .

[13]  G. Chaban,et al.  Ab initio and improved empirical potentials for the calculation of the anharmonic vibrational states and intramolecular mode coupling of N-methylacetamide , 2001 .

[14]  M. Fülscher,et al.  Theoretical Study of the Electronic Spectroscopy of Peptides. 1. The Peptidic Bond: Primary, Secondary, and Tertiary Amides , 1996 .

[15]  S. Krimm,et al.  Structure of trans-N-methylacetamide: planar or non-planar symmetry? , 1995 .

[16]  S. Krimm,et al.  Conformers of cis-N-methylacetamide , 1991 .

[17]  S. Krimm,et al.  CONFORMERS OF TRANS-N-METHYLACETAMIDE Ab initio study of geometries and vibrational spectra* , 1991 .

[18]  K. Houk,et al.  MECHANISM OF CIS-TRANS ISOMERIZATIONS OF AMIDE AND PEPTIDE EXCITED STATES , 1991 .

[19]  J. Bandekar,et al.  Vibrational spectroscopy and conformation of peptides, polypeptides, and proteins. , 1986, Advances in protein chemistry.

[20]  Jaan Laane,et al.  Calculation of two-dimensional vibrational potential energy surfaces utilizing prediagonalized basis sets and Van Vleck perturbation methods , 1985 .

[21]  Mitsuo Tasumi,et al.  Infrared studies of the less stable cis form of N-methylformmaide and N-methylacetamide in low-temperature nitrogen matrices and vibrational analyses of the trans and cis forms of these molecules , 1984 .

[22]  J. Laane,et al.  Calculation of kinetic energy terms for the vibrational Hamiltonian: Application to large-amplitude vibrations using one-, two-, and three-dimensional models , 1982 .

[23]  E. Davidson,et al.  AB INITIO CALCULATION OF SOME VERTICAL EXCITATION ENERGIES OF N-METHYLACETAMIDE , 1978 .

[24]  K. Kuchitsu,et al.  Molecular Structure of N-Methylformamide as Studied by Gas Electron Diffraction , 1973 .

[25]  J. Schellman,et al.  The absorption spectra of simple amides and peptides. , 1967, The Journal of physical chemistry.

[26]  K. Kaya,et al.  Vacuum ultraviolet absorption spectra of simple amides , 1967 .