960 related articles for article (PubMed ID: 25296824)
1. Hydrogen bonded structure, polarity, molecular motion and frequency fluctuations at liquid-vapor interface of a water-methanol mixture: an ab initio molecular dynamics study.
Choudhuri JR; Chandra A
J Chem Phys; 2014 Oct; 141(13):134703. PubMed ID: 25296824
[TBL] [Abstract][Full Text] [Related]
2. Hydrogen bonded structure and dynamics of liquid-vapor interface of water-ammonia mixture: an ab initio molecular dynamics study.
Chakraborty D; Chandra A
J Chem Phys; 2011 Sep; 135(11):114510. PubMed ID: 21950874
[TBL] [Abstract][Full Text] [Related]
3. An ab initio molecular dynamics study of the liquid-vapor interface of an aqueous NaCl solution: inhomogeneous density, polarity, hydrogen bonds, and frequency fluctuations of interfacial molecules.
Choudhuri JR; Chandra A
J Chem Phys; 2014 Nov; 141(19):194705. PubMed ID: 25416903
[TBL] [Abstract][Full Text] [Related]
4. Effects of dispersion interactions on the structure, polarity, and dynamics of liquid-vapor interface of an aqueous NaCl solution: Results of first principles simulations at room temperature.
Roy Choudhuri J; Chandra A
J Chem Phys; 2018 Jan; 148(2):024702. PubMed ID: 29331112
[TBL] [Abstract][Full Text] [Related]
5. Hydrogen Bond Properties and Dynamics of Liquid-Vapor Interfaces of Aqueous Methanol Solutions.
Paul S; Chandra A
J Chem Theory Comput; 2005 Nov; 1(6):1221-31. PubMed ID: 26631666
[TBL] [Abstract][Full Text] [Related]
6. Dynamics of supercritical methanol of varying density from first principles simulations: hydrogen bond fluctuations, vibrational spectral diffusion, and orientational relaxation.
Yadav VK; Chandra A
J Chem Phys; 2013 Jun; 138(22):224501. PubMed ID: 23781799
[TBL] [Abstract][Full Text] [Related]
7. Ab initio and classical molecular dynamics studies of the structural and dynamical behavior of water near a hydrophobic graphene sheet.
Rana MK; Chandra A
J Chem Phys; 2013 May; 138(20):204702. PubMed ID: 23742495
[TBL] [Abstract][Full Text] [Related]
8. Dynamics of water at the interface in reverse micelles: measurements of spectral diffusion with two-dimensional infrared vibrational echoes.
Fenn EE; Wong DB; Giammanco CH; Fayer MD
J Phys Chem B; 2011 Oct; 115(40):11658-70. PubMed ID: 21899355
[TBL] [Abstract][Full Text] [Related]
9. Liquid-vapor interface of methanol-water mixtures: a molecular dynamics study.
Chang TM; Dang LX
J Phys Chem B; 2005 Mar; 109(12):5759-65. PubMed ID: 16851625
[TBL] [Abstract][Full Text] [Related]
10. Influence of surface polarity on water dynamics at the water/rutile TiO₂(110) interface.
Ohto T; Mishra A; Yoshimune S; Nakamura H; Bonn M; Nagata Y
J Phys Condens Matter; 2014 Jun; 26(24):244102. PubMed ID: 24862873
[TBL] [Abstract][Full Text] [Related]
11. Structure and dynamics of methanol in water: a quantum mechanical charge field molecular dynamics study.
Moin ST; Hofer TS; Randolf BR; Rode BM
J Comput Chem; 2011 Apr; 32(5):886-92. PubMed ID: 20949513
[TBL] [Abstract][Full Text] [Related]
12. Structure, dynamics, and the free energy of solute adsorption at liquid-vapor interfaces of simple dipolar systems: molecular dynamics results for pure and mixed Stockmayer fluids.
Paul S; Chandra A
J Phys Chem B; 2007 Nov; 111(43):12500-7. PubMed ID: 17927243
[TBL] [Abstract][Full Text] [Related]
13. Properties of the liquid-vapor interface of acetone-methanol mixtures, as seen from computer simulation and ITIM surface analysis.
Idrissi A; Hantal G; Jedlovszky P
Phys Chem Chem Phys; 2015 Apr; 17(14):8913-26. PubMed ID: 25746419
[TBL] [Abstract][Full Text] [Related]
14. Interfacial structure, thermodynamics, and electrostatics of aqueous methanol solutions via molecular dynamics simulations using charge equilibration models.
Patel S; Zhong Y; Bauer BA; Davis JE
J Phys Chem B; 2009 Jul; 113(27):9241-54. PubMed ID: 19569724
[TBL] [Abstract][Full Text] [Related]
15. Structure and dynamics of the aqueous liquid-vapor interface: a comprehensive particle-based simulation study.
Kuo IF; Mundy CJ; Eggimann BL; McGrath MJ; Siepmann JI; Chen B; Vieceli J; Tobias DJ
J Phys Chem B; 2006 Mar; 110(8):3738-46. PubMed ID: 16494432
[TBL] [Abstract][Full Text] [Related]
16. Structure of the liquid-vapor interface of water-methanol mixtures as seen from Monte Carlo simulations.
Pártay L; Jedlovszky P; Vincze A; Horvai G
J Phys Chem B; 2005 Nov; 109(43):20493-503. PubMed ID: 16853652
[TBL] [Abstract][Full Text] [Related]
17. Vibrational spectral diffusion in supercritical D2O from first principles: an interplay between the dynamics of hydrogen bonds, dangling OD groups, and inertial rotation.
Mallik BS; Chandra A
J Phys Chem A; 2008 Dec; 112(51):13518-27. PubMed ID: 19093822
[TBL] [Abstract][Full Text] [Related]
18. Hydrogen-bond dynamics in the air-water interface.
Liu P; Harder E; Berne BJ
J Phys Chem B; 2005 Feb; 109(7):2949-55. PubMed ID: 16851308
[TBL] [Abstract][Full Text] [Related]
19. Distribution, structure, and dynamics of cesium and iodide ions at the H2O-CCl4 and H2O-vapor interfaces.
Wick CD; Dang LX
J Phys Chem B; 2006 Apr; 110(13):6824-31. PubMed ID: 16570991
[TBL] [Abstract][Full Text] [Related]
20. Stability of nucleic acid base pairs in organic solvents: molecular dynamics, molecular dynamics/quenching, and correlated ab initio study.
Zendlová L; Hobza P; Kabelác M
J Phys Chem B; 2007 Mar; 111(10):2591-609. PubMed ID: 17302446
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
