421 related articles for article (PubMed ID: 30758388)
1. Toward theoretical terahertz spectroscopy of glassy aqueous solutions: partially frozen solute-solvent couplings of glycine in water.
Gupta PK; Esser A; Forbert H; Marx D
Phys Chem Chem Phys; 2019 Feb; 21(9):4975-4987. PubMed ID: 30758388
[TBL] [Abstract][Full Text] [Related]
2. Understanding THz spectra of aqueous solutions: glycine in light and heavy water.
Sun J; Niehues G; Forbert H; Decka D; Schwaab G; Marx D; Havenith M
J Am Chem Soc; 2014 Apr; 136(13):5031-8. PubMed ID: 24606118
[TBL] [Abstract][Full Text] [Related]
3. Glycine in aqueous solution: solvation shells, interfacial water, and vibrational spectroscopy from ab initio molecular dynamics.
Sun J; Bousquet D; Forbert H; Marx D
J Chem Phys; 2010 Sep; 133(11):114508. PubMed ID: 20866146
[TBL] [Abstract][Full Text] [Related]
4. Spatial decomposition and assignment of infrared spectra of simple ions in water from mid-infrared to THz frequencies: Li(+)(aq) and F(-)(aq).
Smiechowski M; Forbert H; Marx D
J Chem Phys; 2013 Jul; 139(1):014506. PubMed ID: 23822313
[TBL] [Abstract][Full Text] [Related]
5. Solvation shell resolved THz spectra of simple aqua ions - distinct distance- and frequency-dependent contributions of solvation shells.
Śmiechowski M; Sun J; Forbert H; Marx D
Phys Chem Chem Phys; 2015 Apr; 17(13):8323-9. PubMed ID: 25579399
[TBL] [Abstract][Full Text] [Related]
6. Mode specific THz spectra of solvated amino acids using the AMOEBA polarizable force field.
Esser A; Belsare S; Marx D; Head-Gordon T
Phys Chem Chem Phys; 2017 Feb; 19(7):5579-5590. PubMed ID: 28165073
[TBL] [Abstract][Full Text] [Related]
7. THz spectra and dynamics of aqueous solutions studied by the ultrafast optical Kerr effect.
Mazur K; Heisler IA; Meech SR
J Phys Chem B; 2011 Mar; 115(11):2563-73. PubMed ID: 21355600
[TBL] [Abstract][Full Text] [Related]
8. Aqueous TMAO solutions as seen by theoretical THz spectroscopy: hydrophilic versus hydrophobic water.
Imoto S; Forbert H; Marx D
Phys Chem Chem Phys; 2018 Feb; 20(9):6146-6158. PubMed ID: 29457173
[TBL] [Abstract][Full Text] [Related]
9. On the origins of core-electron chemical shifts of small biomolecules in aqueous solution: insights from photoemission and ab initio calculations of glycine(aq).
Ottosson N; Børve KJ; Spångberg D; Bergersen H; Sæthre LJ; Faubel M; Pokapanich W; Öhrwall G; Björneholm O; Winter B
J Am Chem Soc; 2011 Mar; 133(9):3120-30. PubMed ID: 21319819
[TBL] [Abstract][Full Text] [Related]
10. Control of X-ray Induced Electron and Nuclear Dynamics in Ammonia and Glycine Aqueous Solution via Hydrogen Bonding.
Unger I; Hollas D; Seidel R; Thürmer S; Aziz EF; Slavíček P; Winter B
J Phys Chem B; 2015 Aug; 119(33):10750-9. PubMed ID: 26225896
[TBL] [Abstract][Full Text] [Related]
11. New insights into the role of water in biological function: studying solvated biomolecules using terahertz absorption spectroscopy in conjunction with molecular dynamics simulations.
Conti Nibali V; Havenith M
J Am Chem Soc; 2014 Sep; 136(37):12800-7. PubMed ID: 25127002
[TBL] [Abstract][Full Text] [Related]
12. Long-range influence of carbohydrates on the solvation dynamics of water--answers from terahertz absorption measurements and molecular modeling simulations.
Heyden M; Bründermann E; Heugen U; Niehues G; Leitner DM; Havenith M
J Am Chem Soc; 2008 Apr; 130(17):5773-9. PubMed ID: 18393415
[TBL] [Abstract][Full Text] [Related]
13. Rattling in the cage: ions as probes of sub-picosecond water network dynamics.
Schmidt DA; Birer O; Funkner S; Born BP; Gnanasekaran R; Schwaab GW; Leitner DM; Havenith M
J Am Chem Soc; 2009 Dec; 131(51):18512-7. PubMed ID: 19928959
[TBL] [Abstract][Full Text] [Related]
14. Ab-initio molecular dynamics and hybrid explicit-implicit solvation model for aqueous and nonaqueous solvents: GFP chromophore in water and methanol solution as case study.
Raucci U; Perrella F; Donati G; Zoppi M; Petrone A; Rega N
J Comput Chem; 2020 Oct; 41(26):2228-2239. PubMed ID: 32770577
[TBL] [Abstract][Full Text] [Related]
15. Diffusion of Small Solute Particles in Viscous Liquids: Cage Diffusion, a Result of Decoupling of Solute-Solvent Dynamics, Leads to Amplification of Solute Diffusion.
Acharya S; Nandi MK; Mandal A; Sarkar S; Bhattacharyya SM
J Phys Chem B; 2015 Aug; 119(34):11169-75. PubMed ID: 26140411
[TBL] [Abstract][Full Text] [Related]
16. Solvation-driven charge transfer and localization in metal complexes.
Rondi A; Rodriguez Y; Feurer T; Cannizzo A
Acc Chem Res; 2015 May; 48(5):1432-40. PubMed ID: 25902015
[TBL] [Abstract][Full Text] [Related]
17. Solvent effects on glycine. I. A supermolecule modeling of tautomerization via intramolecular proton transfer.
Balta B; Aviyente V
J Comput Chem; 2003 Nov; 24(14):1789-802. PubMed ID: 12964198
[TBL] [Abstract][Full Text] [Related]
18. Effects of Electronic-State-Dependent Solute Polarizability: Application to Solute-Pump/Solvent-Probe Spectra.
Sun X; Ladanyi BM; Stratt RM
J Phys Chem B; 2015 Jul; 119(29):9129-39. PubMed ID: 25299940
[TBL] [Abstract][Full Text] [Related]
19. Hydrogen-Bonding in Liquid Water at Multikilobar Pressures.
Vondracek H; Imoto S; Knake L; Schwaab G; Marx D; Havenith M
J Phys Chem B; 2019 Sep; 123(36):7748-7753. PubMed ID: 31419128
[TBL] [Abstract][Full Text] [Related]
20. Strategy using three layers of surface charge for computing solvation free energy of ions.
Yang PK
Biophys Chem; 2013 Dec; 184():87-94. PubMed ID: 24157373
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
