253 related articles for article (PubMed ID: 12569454)
1. Determining the strengths of hydrogen bonds in solid-state ammonia and urea: insight from periodic DFT calculations.
Morrison CA; Siddick MM
Chemistry; 2003 Feb; 9(3):628-34. PubMed ID: 12569454
[TBL] [Abstract][Full Text] [Related]
2. Mechanism of a chemical classic: quantum chemical investigation of the autocatalyzed reaction of the serendipitous wöhler synthesis of urea.
Tsipis CA; Karipidis PA
J Am Chem Soc; 2003 Feb; 125(8):2307-18. PubMed ID: 12590561
[TBL] [Abstract][Full Text] [Related]
3. Ammonia-water cation and ammonia dimer cation.
Kim H; Lee HM
J Phys Chem A; 2009 Jun; 113(25):6859-64. PubMed ID: 19534557
[TBL] [Abstract][Full Text] [Related]
4. Pseudo-Jahn-Teller origin of the low barrier hydrogen bond in N(2)H(7) (+).
García-Fernández P; García-Canales L; García-Lastra JM; Junquera J; Moreno M; Aramburu JA
J Chem Phys; 2008 Sep; 129(12):124313. PubMed ID: 19045029
[TBL] [Abstract][Full Text] [Related]
5. Attractive strain: the disadvantages of rigid multiple H-bond donors and acceptors. A theoretical analysis of the hydrogen-bonding interactions in complexes of tetraazaanthracenedione with pyridylureas.
Oliva A; Bertran J; Dannenberg JJ
J Phys Chem B; 2008 Feb; 112(6):1765-9. PubMed ID: 18211062
[TBL] [Abstract][Full Text] [Related]
6. Quantifying weak hydrogen bonding in uracil and 4-cyano-4'-ethynylbiphenyl: a combined computational and experimental investigation of NMR chemical shifts in the solid state.
Uldry AC; Griffin JM; Yates JR; Pérez-Torralba M; María MD; Webber AL; Beaumont ML; Samoson A; Claramunt RM; Pickard CJ; Brown SP
J Am Chem Soc; 2008 Jan; 130(3):945-54. PubMed ID: 18166050
[TBL] [Abstract][Full Text] [Related]
7. 3-(4-Bromophenyl)-5-(4-dimethylaminophenyl)-1-phenyl-2-pyrazoline: X-ray and density functional theory (DFT) studies.
Langer V; Scholtzová E; Koós M
Acta Crystallogr C; 2007 Jun; 63(Pt 6):o340-2. PubMed ID: 17551198
[TBL] [Abstract][Full Text] [Related]
8. Hydrogen bonding in dimers of tritolyl and tritosylurea derivatives of triphenylmethanes.
Rudzevich Y; Rudzevich V; Schollmeyer D; Thondorf I; Böhmer V
Org Biomol Chem; 2006 Nov; 4(21):3938-44. PubMed ID: 17047873
[TBL] [Abstract][Full Text] [Related]
9. DFT-UX3LYP studies on the coordination chemistry of Ni2+. Part 1: Six coordinate [Ni(NH3)n(H2O)(6-n)]2+ complexes.
Varadwaj PR; Cukrowski I; Marques HM
J Phys Chem A; 2008 Oct; 112(42):10657-66. PubMed ID: 18823109
[TBL] [Abstract][Full Text] [Related]
10. Solid-state and gas-phase structures of two conformers of N-(4-methylphenyl)-N',N''-bis(morpholinyl) phosphoric triamide; insights from X-ray crystallography and DFT calculations.
Gholivand K; Mahzouni HR
Acta Crystallogr B; 2011 Jun; 67(Pt 3):238-43. PubMed ID: 21586831
[TBL] [Abstract][Full Text] [Related]
11. Density functional theory-based prediction of the formation constants of complexes of ammonia in aqueous solution: indications of the role of relativistic effects in the solution chemistry of gold(I).
Hancock RD; Bartolotti LJ
Inorg Chem; 2005 Oct; 44(20):7175-83. PubMed ID: 16180881
[TBL] [Abstract][Full Text] [Related]
12. On hydrogen bonding in 1,6-anhydro-beta-D-glucopyranose (levoglucosan): X-ray and neutron diffraction and DFT study.
Smrcok L; Sládkovicová M; Langer V; Wilson CC; Koós M
Acta Crystallogr B; 2006 Oct; 62(Pt 5):912-8. PubMed ID: 16983171
[TBL] [Abstract][Full Text] [Related]
13. Estimation of strength in different extra Watson-Crick hydrogen bonds in DNA double helices through quantum chemical studies.
Bandyopadhyay D; Bhattacharyya D
Biopolymers; 2006 Oct; 83(3):313-25. PubMed ID: 16729290
[TBL] [Abstract][Full Text] [Related]
14. Density functional theory and hydrogen bonds: are we there yet?
Boese AD
Chemphyschem; 2015 Apr; 16(5):978-85. PubMed ID: 25688988
[TBL] [Abstract][Full Text] [Related]
15. Propensity for local folding induced by the urea fragment in short-chain oligomers.
Fischer L; Didierjean C; Jolibois F; Semetey V; Manuel Lozano J; Briand JP; Marraud M; Poteau R; Guichard G
Org Biomol Chem; 2008 Jul; 6(14):2596-610. PubMed ID: 18600281
[TBL] [Abstract][Full Text] [Related]
16. Characterization of cooperative effects in linear alpha-glycylglycine clusters.
Bahrami A; Esrafili MD; Hadipour NL
Biophys Chem; 2009 Jul; 143(1-2):26-33. PubMed ID: 19383568
[TBL] [Abstract][Full Text] [Related]
17. Hydrogen-bonding networks from first-principles: exploring the guanidine crystal.
Hoepfner V; Deringer VL; Dronskowski R
J Phys Chem A; 2012 May; 116(18):4551-9. PubMed ID: 22420483
[TBL] [Abstract][Full Text] [Related]
18. Crystal structure, spectroscopic, and theoretical investigations of excited-state proton transfer in the doubly hydrogen-bonded dimer of 2-butylamino-6-methyl-4-nitropyridine N-oxide.
Szemik-Hojniak A; Deperasiñska I; Jerzykiewicz L; Sobota P; Hojniak M; Puszko A; Haraszkiewicz N; van der Zwan G; Jacques P
J Phys Chem A; 2006 Sep; 110(37):10690-8. PubMed ID: 16970358
[TBL] [Abstract][Full Text] [Related]
19. A systematic study on hydrogen bond interactions in sulfabenzamide: DFT calculations of the N-14, O-17, and H-2 NQR parameters.
Nozad AG; Najafi H; Meftah S; Aghazadeh M
Biophys Chem; 2009 Feb; 139(2-3):116-22. PubMed ID: 19028005
[TBL] [Abstract][Full Text] [Related]
20. Experimental and computational thermochemical study and solid-phase structure of 5,5-dimethylbarbituric acid.
Roux MV; Notario R; Foces-Foces C; Temprado M; Ros F; Emel'yanenko VN; Verevkin SP
J Phys Chem A; 2010 Mar; 114(10):3583-90. PubMed ID: 20180529
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
