These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
2. Sum-frequency-generation vibration spectroscopy and density functional theory calculations with dispersion corrections (DFT-D2) for cellulose Iα and Iβ. Lee CM; Mohamed NM; Watts HD; Kubicki JD; Kim SH J Phys Chem B; 2013 Jun; 117(22):6681-92. PubMed ID: 23738844 [TBL] [Abstract][Full Text] [Related]
3. Understanding the Structure and Dynamics of Nanocellulose-Based Composites with Neutral and ionic Poly(methacrylate) Derivatives using Inelastic Neutron Scattering and DFT Calculations. Vilela C; Freire CSR; Araújo C; Rudić S; Silvestre AJD; Vaz PD; Ribeiro-Claro PJA; Nolasco MM Molecules; 2020 Apr; 25(7):. PubMed ID: 32272703 [TBL] [Abstract][Full Text] [Related]
4. DFT Simulations of the Vibrational Spectrum and Hydrogen Bonds of Ice XIV. Zhang K; Zhang P; Wang ZR; Zhu XL; Lu YB; Guan CB; Li Y Molecules; 2018 Jul; 23(7):. PubMed ID: 30029537 [TBL] [Abstract][Full Text] [Related]
5. Crystal structure and hydrogen-bonding system in cellulose Ibeta from synchrotron X-ray and neutron fiber diffraction. Nishiyama Y; Langan P; Chanzy H J Am Chem Soc; 2002 Aug; 124(31):9074-82. PubMed ID: 12149011 [TBL] [Abstract][Full Text] [Related]
6. Evaluation of hydrogen bond networks in cellulose Iβ and II crystals using density functional theory and Car-Parrinello molecular dynamics. Hayakawa D; Nishiyama Y; Mazeau K; Ueda K Carbohydr Res; 2017 Sep; 449():103-113. PubMed ID: 28759814 [TBL] [Abstract][Full Text] [Related]
7. DFT Investigations of the Vibrational Spectra and Translational Modes of Ice II. Cao JW; Chen JY; Qin XL; Zhu XL; Jiang L; Gu Y; Yu XH; Zhang P Molecules; 2019 Aug; 24(17):. PubMed ID: 31466370 [TBL] [Abstract][Full Text] [Related]
8. Crystalline structure analysis of cellulose treated with sodium hydroxide and carbon dioxide by means of X-ray diffraction and FTIR spectroscopy. Oh SY; Yoo DI; Shin Y; Kim HC; Kim HY; Chung YS; Park WH; Youk JH Carbohydr Res; 2005 Oct; 340(15):2376-91. PubMed ID: 16153620 [TBL] [Abstract][Full Text] [Related]
9. Hydrogen-Bonding Network and OH Stretch Vibration of Cellulose: Comparison of Computational Modeling with Polarized IR and SFG Spectra. Lee CM; Kubicki JD; Fan B; Zhong L; Jarvis MC; Kim SH J Phys Chem B; 2015 Dec; 119(49):15138-49. PubMed ID: 26615832 [TBL] [Abstract][Full Text] [Related]
10. Environmental effects on vibrational proton dynamics in H5O2+: DFT study on crystalline H5O2+ClO4-. Vener MV; Sauer J Phys Chem Chem Phys; 2005 Jan; 7(2):258-63. PubMed ID: 19785146 [TBL] [Abstract][Full Text] [Related]
11. Conformational and vibrational reassessment of solid paracetamol. Amado AM; Azevedo C; Ribeiro-Claro PJA Spectrochim Acta A Mol Biomol Spectrosc; 2017 Aug; 183():431-438. PubMed ID: 28494395 [TBL] [Abstract][Full Text] [Related]
12. Temperature-dependent changes in hydrogen bonds in cellulose Ialpha studied by infrared spectroscopy in combination with perturbation-correlation moving-window two-dimensional correlation spectroscopy: comparison with cellulose Ibeta. Watanabe A; Morita S; Ozaki Y Biomacromolecules; 2007 Sep; 8(9):2969-75. PubMed ID: 17705428 [TBL] [Abstract][Full Text] [Related]
13. Proton dynamics in the strong chelate hydrogen bond of crystalline picolinic acid N-oxide. A new computational approach and infrared, raman and INS study. Stare J; Panek J; Eckert J; Grdadolnik J; Mavri J; Hadzi D J Phys Chem A; 2008 Feb; 112(7):1576-86. PubMed ID: 18225869 [TBL] [Abstract][Full Text] [Related]
14. Looking at hydrogen bonds in cellulose. Nishiyama Y; Langan P; Wada M; Forsyth VT Acta Crystallogr D Biol Crystallogr; 2010 Nov; 66(Pt 11):1172-7. PubMed ID: 21041932 [TBL] [Abstract][Full Text] [Related]
16. Vibrational density of states of hydration water at biomolecular sites: hydrophobicity promotes low density amorphous ice behavior. Russo D; Teixeira J; Kneller L; Copley JR; Ollivier J; Perticaroli S; Pellegrini E; Gonzalez MA J Am Chem Soc; 2011 Apr; 133(13):4882-8. PubMed ID: 21405120 [TBL] [Abstract][Full Text] [Related]
17. Vibrational spectroscopy of N-phenylmaleimide. Parker SF Spectrochim Acta A Mol Biomol Spectrosc; 2006 Mar; 63(3):544-9. PubMed ID: 16157505 [TBL] [Abstract][Full Text] [Related]
18. Experimental and Theoretical Study on Terahertz Spectra for Regenerated Cellulose. Dai ZL; Xu XD; Gu Y; Zou RJ; Han SS; Peng Y; Lian YX; Wang F; Li XR; Chen ZG; Sun MH; Jiang YD Guang Pu Xue Yu Guang Pu Fen Xi; 2017 Mar; 37(3):697-703. PubMed ID: 30148547 [TBL] [Abstract][Full Text] [Related]
19. Vibrational Dynamics of Crystalline 4-Phenylbenzaldehyde from INS Spectra and Periodic DFT Calculations. Nolasco MM; Araujo CF; Vaz PD; Amado AM; Ribeiro-Claro P Molecules; 2020 Mar; 25(6):. PubMed ID: 32197316 [TBL] [Abstract][Full Text] [Related]
20. Cellulose Structural Polymorphism in Plant Primary Cell Walls Investigated by High-Field 2D Solid-State NMR Spectroscopy and Density Functional Theory Calculations. Wang T; Yang H; Kubicki JD; Hong M Biomacromolecules; 2016 Jun; 17(6):2210-22. PubMed ID: 27192562 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]