Semiempirical calculations of O-H N-H and C-H hydrogen-bonding interactions. A comparison with high quality ab initio calculations.

被引:0
|
作者
Dannenberg, JJ
机构
[1] CUNY HUNTER COLL,NEW YORK,NY 10021
[2] CUNY GRAD SCH & UNIV CTR,NEW YORK,NY 10021
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:150 / COMP
页数:1
相关论文
共 50 条
  • [1] Investigation of C-H ... O=C and N-H ... O=C hydrogen-bonding interactions in crystalline thymine by DFT calculations of O-17, N-14 and H-2 NQR parameters
    Mirzaei, Mahmoud
    Hadipour, Nasser L.
    Ahmadi, Kamran
    BIOPHYSICAL CHEMISTRY, 2007, 125 (2-3) : 411 - 415
  • [2] Three hexahydropyridopyrimidinespiro-cyclohexanetriones:: supramolecular structures generated by O-H•••O, N-H•••O, C-H•••O and C-H•••π hydrogen bonds, and π-π stacking interactions
    Low, JN
    Ferguson, G
    Cobo, J
    Nogueras, M
    Cruz, S
    Quiroga, J
    Glidewell, C
    ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2004, 60 : O438 - O443
  • [3] Catalytic additions of O-H, N-H and C-H bonds to alkenes
    Hartwig, John F.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 247
  • [4] Very strong C-H•••O, N-H•••O, and O-H•••O hydrogen bonds involving a cyclic phosphate
    Swamy, KCK
    Kumaraswamy, S
    Kommana, P
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2001, 123 (50) : 12642 - 12649
  • [5] 2-Hydroxyacetophenone arylhydrazones. Supramolecular arrangements based on C-H•••O(H), C-H•••O(NO), N-H•••O(H), N-H•••O(NO), C-H•••π or π•••π interactions
    Baddeley, Thomas C.
    Franca, Luciana de Souza
    Howie, R. Alan
    de Lima, Geraldo M.
    Skakle, Janet M. S.
    de Souza, Jose Dias
    Wardell, James L.
    Wardell, Solange M. S. V.
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 2009, 224 (04): : 213 - 224
  • [6] Understanding trends in C-H, N-H, and O-H bond dissociation enthalpies
    Ingold, KU
    Wright, JS
    JOURNAL OF CHEMICAL EDUCATION, 2000, 77 (08) : 1062 - 1064
  • [7] Cooperative C≡C-H⋯O-H⋯O hydrogen bonding in a crystalline alkynol
    K. Subramanian
    S. Lakshmi
    K. Rajagopalan
    Thomas Steiner
    Evgeni B. Starikov
    Journal of Chemical Crystallography, 1998, 28 : 581 - 584
  • [8] (Pyrazinecarbonyl)hydrazones of heteroarenealdehydes: crystal structures formed from N-H ... O, N-H ... N, C-H ... O hydrogen-bonds, C-H ... π and π ... π interactions
    Howie, R. Alan
    da Silva Lima, Camilo H.
    Kaiser, Carlos R.
    da Silva, Marcele M.
    de Souza, Marcus V. N.
    Wardell, James L.
    Wardell, Solange M. S. V.
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE-CRYSTALLINE MATERIALS, 2010, 225 (06): : 245 - 252
  • [9] Dehydrogenation of alcohols and amines: heterolytic C-H and N-H/O-H activation
    Jones, William
    Olivares, Astrid
    Chakraborty, Sumit
    Xu, Ruibo
    Jing Yuwen
    Bellows, Sarina
    Wilklow-Marnell, Miles
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 257
  • [10] Anharmonicity in the vibrational modes associated with H-H, N-H, O-H, and C-H bonds
    Limpijumnong, S
    HYDROGEN IN SEMICONDUCTORS, 2004, 813 : 119 - 130