Hydration of cis and trans N-methylformamide as revealed by the use of 17O-NMR, molecular mechanics, and ab initio calculations

被引:0
|
作者
机构
来源
Biopolym | / 4卷 / 415期
关键词
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [1] HYDRATION OF CIS AND TRANS N-METHYLFORMAMIDE AS REVEALED BY THE USE OF O-17-NMR, MOLECULAR MECHANICS, AND AB-INITIO CALCULATIONS
    GEROTHANASSIS, IP
    DEMETROPOULOS, IN
    VAKKA, C
    BIOPOLYMERS, 1995, 36 (04) : 415 - 428
  • [2] Rotational spectrum and ab initio calculations of N-methylformamide
    Fantoni, AC
    Caminati, W
    JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1996, 92 (03): : 343 - 346
  • [3] O-17 NMR-STUDY OF THE HYDRATION AND THE ASSOCIATION OF N-METHYLFORMAMIDE MOLECULES
    BURGAR, MI
    AMOUR, TS
    FIAT, D
    PERIODICUM BIOLOGORUM, 1980, 82 (03) : 283 - 287
  • [4] Dynamical structure of peptide molecules: Fourier transform microwave spectroscopy and ab initio calculations of N-methylformamide
    Kawashima, Yoshiyuki
    Usami, Tsuyoshi
    Suenram, Richard D.
    Golubiatnikov, G. Yu.
    Hirota, Eizi
    JOURNAL OF MOLECULAR SPECTROSCOPY, 2010, 263 (01) : 11 - 20
  • [5] FORCE-CONSTANTS OF TRANS AND CIS N-METHYLFORMAMIDE FROM ABINITIO SCF-MO CALCULATIONS
    SUGAWARA, Y
    HIRAKAWA, AY
    TSUBOI, M
    KATO, S
    MOROKUMA, K
    CHEMICAL PHYSICS, 1981, 62 (03) : 339 - 351
  • [6] Conformational behavior of N-methylformamide in the gas, matrix, and solution states as revealed by IR and NMR spectroscopic measurements and by theoretical calculations
    Shin, Saeko
    Kurawaki, Akiko
    Hamada, Yoshiaki
    Shinya, Kei
    Ohno, Keiichi
    Tohara, Akira
    Sato, Mitsuo
    JOURNAL OF MOLECULAR STRUCTURE, 2006, 791 (1-3) : 30 - 40
  • [7] Molecular dynamics of cis/trans N-methylformamide liquid mixture using a new optimized all atom rigid force field
    Skarmoutsos, I
    Samios, J
    CHEMICAL PHYSICS LETTERS, 2004, 384 (1-3) : 108 - 113
  • [8] An Effective Method for Studying Intermolecular Interactions in Binary Liquids with Hydrogen Bonds; FTIR Spectra and Ab Initio Calculations in the N-Methylformamide Methanol System
    Kamienska-Piotrowicz, Ewa
    Dziewulska, Kamila
    Stangret, Janusz
    JOURNAL OF PHYSICAL CHEMISTRY B, 2010, 114 (17): : 5810 - 5818
  • [9] Organic Peracids: A Structural Puzzle for 17O NMR and Ab Initio Chemical Shift Calculations
    Castiglione, Franca
    Baggioli, Alberto
    Citterio, Attilio
    Mele, Andrea
    Raos, Guido
    JOURNAL OF PHYSICAL CHEMISTRY A, 2012, 116 (07): : 1814 - 1819
  • [10] Solvation properties of N-substituted cis and trans amides are not identical:: Significant enthalpy and entropy changes are revealed by the use off variable temperature 1H NMR in aqueous and chloroform solutions and ab initio calculations
    Troganis, AN
    Sicilia, L
    Barbarossou, K
    Gerothanassis, IP
    Russo, N
    JOURNAL OF PHYSICAL CHEMISTRY A, 2005, 109 (51): : 11878 - 11884