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1

Wick, Collin D. "NaCl Dissociation Dynamics at the Air−Water Interface." Journal of Physical Chemistry C 113, no. 6 (January 21, 2009): 2497–502. http://dx.doi.org/10.1021/jp807901j.

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2

Liu, Pu, Edward Harder, and B. J. Berne. "Hydrogen-Bond Dynamics in the Air−Water Interface." Journal of Physical Chemistry B 109, no. 7 (February 2005): 2949–55. http://dx.doi.org/10.1021/jp046807l.

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3

Segur, Harvey, and Soroush Khadem. "Wind-Driven Waves on the Air-Water Interface." Fluids 6, no. 3 (March 16, 2021): 122. http://dx.doi.org/10.3390/fluids6030122.

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An ocean swell refers to a train of periodic or nearly periodic waves. The wave train can propagate on the free surface of a body of water over very long distances. A great deal of the current study in the dynamics of water waves is focused on ocean swells. These swells are typically created initially in the neighborhood of an ocean storm, and then the swell propagates away from the storm in all directions. We consider a different kind of wave, called seas, which are created by and driven entirely by wind. These waves typically have no periodicity, and can rise and fall with changes in the wind. Specifically, this is a two-fluid problem, with air above a moveable interface, and water below it. We focus on the local dynamics at the air-water interface. Various properties at this locality have implications on the waves as a whole, such as pressure differentials and velocity profiles. The following analysis provides insight into the dynamics of seas, and some of the features of these intriguing waves, including a process known as white-capping.
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4

Zimdars, David, Jerry I. Dadap, Kenneth B. Eisenthal, and Tony F. Heinz. "Femtosecond dynamics of solvation at the air/water interface." Chemical Physics Letters 301, no. 1-2 (February 1999): 112–20. http://dx.doi.org/10.1016/s0009-2614(99)00017-2.

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5

Martynowycz, Michael, Andrey Ivankin, and David Gidalevitz. "Dynamics of Bilayer Interactions at the Air-Water Interface." Biophysical Journal 106, no. 2 (January 2014): 512a. http://dx.doi.org/10.1016/j.bpj.2013.11.2862.

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6

Bhattacharya, R., and J. K. Basu. "Microscopic dynamics of nanoparticle monolayers at air–water interface." Journal of Colloid and Interface Science 396 (April 2013): 69–74. http://dx.doi.org/10.1016/j.jcis.2013.01.003.

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7

Theodoratou, Antigoni, Ulrich Jonas, Benoit Loppinet, Thomas Geue, René Stangenberg, Dan Li, Rüdiger Berger, and Dimitris Vlassopoulos. "Photoswitching the mechanical properties in Langmuir layers of semifluorinated alkyl-azobenzenes at the air–water interface." Physical Chemistry Chemical Physics 17, no. 43 (2015): 28844–52. http://dx.doi.org/10.1039/c5cp04242a.

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8

Zhang, Zhe, and Xiaoyu Song. "Nanoscale soil-water retention curve of unsaturated clay via molecular dynamics." E3S Web of Conferences 382 (2023): 10007. http://dx.doi.org/10.1051/e3sconf/202338210007.

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This paper characterizes nanoscale soil-water retention mechanism of unsaturated clay through molecular dynamics simulation. Series of molecular dynamics simulations of clay at low degrees of saturation were conducted. Soil water was represented by a point cloud through the centre-of-massmethod. Water-air interface area was measured numerically by the alpha shape method. Spatial variation of water number density is characterized and used to determine the adsorbed water layer. The soil-water retention mechanism at the nanoscale was analysed by distinguishing adsorptive pressure and capillary pressure at different mass water contents and considering apparent interface area (water-air interface area per unit water volume).
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9

Benderskii, Alexander V., and Kenneth B. Eisenthal. "Aqueous Solvation Dynamics at the Anionic Surfactant Air/Water Interface†." Journal of Physical Chemistry B 105, no. 28 (July 2001): 6698–703. http://dx.doi.org/10.1021/jp010401g.

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10

Donovan, Michael A., Yeneneh Y. Yimer, Jim Pfaendtner, Ellen H. G. Backus, Mischa Bonn, and Tobias Weidner. "Ultrafast Reorientational Dynamics of Leucine at the Air–Water Interface." Journal of the American Chemical Society 138, no. 16 (April 18, 2016): 5226–29. http://dx.doi.org/10.1021/jacs.6b01878.

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11

Dhathathreyan, A., and S. J. Collins. "Molecular Dynamics Simulation of (Octadecylamino)dihydroxysalicylaldehyde at Air/Water Interface." Langmuir 18, no. 3 (February 2002): 928–31. http://dx.doi.org/10.1021/la011073e.

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12

Stocco, Antonio, Klaus Tauer, Stergios Pispas, and Reinhard Sigel. "Dynamics of amphiphilic diblock copolymers at the air–water interface." Journal of Colloid and Interface Science 355, no. 1 (March 2011): 172–78. http://dx.doi.org/10.1016/j.jcis.2010.11.049.

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13

Koens, Lyndon, Wendong Wang, Metin Sitti, and Eric Lauga. "The near and far of a pair of magnetic capillary disks." Soft Matter 15, no. 7 (2019): 1497–507. http://dx.doi.org/10.1039/c8sm02215a.

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We develop a series of models in order to elucidate the non-linear dynamics of interacting magnetic micro-disks floating on an air–water interface and exhibiting both dynamic and static self-assembly.
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14

Zhou, Zhibin, Zhijun Xu, and Xiaoning Yang. "Molecular dynamics simulation of interface-mediated GO-GO interaction at the air-water interface." Journal of Molecular Liquids 291 (October 2019): 111340. http://dx.doi.org/10.1016/j.molliq.2019.111340.

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15

Martins-Costa, Marilia T. C., Josep M. Anglada, Joseph S. Francisco, and Manuel F. Ruiz-López. "Photosensitization mechanisms at the air–water interface of aqueous aerosols." Chemical Science 13, no. 9 (2022): 2624–31. http://dx.doi.org/10.1039/d1sc06866k.

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First-principles molecular dynamics simulations of imidazole-2-carboxaldehyde at the air–water interface highlight the role of surfactants in stabilising the reactive triplet state involved in photosensitisation reactions in aqueous aerosols.
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16

Swean, T. F., and A. N. Beris. "Dynamics of Free-Surface Flows With Surfactants." Applied Mechanics Reviews 47, no. 6S (June 1, 1994): S173—S177. http://dx.doi.org/10.1115/1.3124399.

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There is ample quantitative evidence (through, for example, surface tension measurements) of the presence of surfactants at the air-sea interface in sufficient quantities to influence the sea surface dynamics and its interactions with ambient flow turbulence. The importance of the role of the surfactants can also be judged from independent observations of phenomena such as suppression of short wavelength capillary waves and the presence of long-lived slick structures at the ship wakes. Although there is consensus on the presence of surfactants as the underlying reason behind these phenomena, the capability of quantitative predictions is still lacking for most of them. The objective of the present work is to introduce to the general engineering mechanics community the governing equations and the relevant issues associated with the study of free surface flows with surfactants. In particular, we focus on the interactions between a high Reynolds number flow, interface deformation and surfactant distribution next to and at the water-air interface. In addition, recent progress is briefly reviewed. Then, the remaining outstanding issues to allow the understanding of the dynamics of nonlinear interactions between turbulent flow and surfactant structure and concentration at the air-water interface are outlined.
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17

Takamure, K., and T. Uchiyama. "Air–water interface dynamics and energy transition in air of a sphere passed vertically upward through the interface." Experimental Thermal and Fluid Science 118 (October 2020): 110167. http://dx.doi.org/10.1016/j.expthermflusci.2020.110167.

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18

Wickman, H. Hollis, and Julius N. Korley. "Colloid crystal self-organization and dynamics at the air/water interface." Nature 393, no. 6684 (June 1998): 445–47. http://dx.doi.org/10.1038/30930.

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19

Bianchi, Silvio, Filippo Saglimbeni, Giacomo Frangipane, Dario Dell'Arciprete, and Roberto Di Leonardo. "3D dynamics of bacteria wall entrapment at a water–air interface." Soft Matter 15, no. 16 (2019): 3397–406. http://dx.doi.org/10.1039/c9sm00077a.

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20

Ahmad, Farhan, and Kwanwoo Shin. "Dendrimers at the air-water interface: surface dynamics and molecular ordering." International Journal of Nanotechnology 3, no. 2/3 (2006): 353. http://dx.doi.org/10.1504/ijnt.2006.009588.

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21

Nowakowski, Paweł J., David A. Woods, and Jan R. R. Verlet. "Charge Transfer to Solvent Dynamics at the Ambient Water/Air Interface." Journal of Physical Chemistry Letters 7, no. 20 (October 3, 2016): 4079–85. http://dx.doi.org/10.1021/acs.jpclett.6b01985.

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22

ANDOH, Yoshimichi, and Kenji YASUOKA. "Investigation of the surfactant-molecule dynamics near the air/water interface." Proceedings of The Computational Mechanics Conference 2003.16 (2003): 203–4. http://dx.doi.org/10.1299/jsmecmd.2003.16.203.

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23

Gang, Hong-Ze, Jin-Feng Liu, and Bo-Zhong Mu. "Molecular Dynamics Study of Surfactin Monolayer at the Air/Water Interface." Journal of Physical Chemistry B 115, no. 44 (November 10, 2011): 12770–77. http://dx.doi.org/10.1021/jp206350j.

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24

Akella, V. S., Dhiraj K. Singh, Shreyas Mandre, and M. M. Bandi. "Dynamics of a camphoric acid boat at the air–water interface." Physics Letters A 382, no. 17 (May 2018): 1176–80. http://dx.doi.org/10.1016/j.physleta.2018.02.026.

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25

Pérez, Oscar E., Cecilio Carrera Sánchez, Ana M. R. Pilosof, and Juan M. Rodríguez Patino. "Dynamics of adsorption of hydroxypropyl methylcellulose at the air–water interface." Food Hydrocolloids 22, no. 3 (May 2008): 387–402. http://dx.doi.org/10.1016/j.foodhyd.2006.12.005.

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26

Goggin, David M., and Joseph R. Samaniuk. "Dynamics of pristine graphite and graphene at an air-water interface." AIChE Journal 64, no. 8 (February 16, 2018): 3177–87. http://dx.doi.org/10.1002/aic.16112.

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27

Creazzo, Fabrizio, Simone Pezzotti, Sana Bougueroua, Alessandra Serva, Jiri Sponer, Franz Saija, Giuseppe Cassone, and Marie-Pierre Gaigeot. "Enhanced conductivity of water at the electrified air–water interface: a DFT-MD characterization." Physical Chemistry Chemical Physics 22, no. 19 (2020): 10438–46. http://dx.doi.org/10.1039/c9cp06970d.

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DFT-based molecular dynamics simulations of the electrified air–liquid water interface are presented, where a homogeneous field is applied parallel to the surface plane (i.e. parallel to the 2D-HBonded-Network/2DN).
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28

Tang, Xionghui, and Yiou Liu. "Numerical simulation of gas-liquid interface in high-pressure water-blowing chamber." Journal of Physics: Conference Series 2441, no. 1 (March 1, 2023): 012062. http://dx.doi.org/10.1088/1742-6596/2441/1/012062.

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Abstract The load on the water chamber increases with the pressure level and blowing rate of the system, and the demand for theoretical and experimental studies related to the quantitative parameters of water chamber blowing safety becomes more and more frequent. In this paper, CFD computational fluid dynamics method is used to carry out the dynamics modeling and simulation of three-dimensional non-constant gas-liquid two-phase internal flow field of the test water chamber and the actual water chamber blowdown process to obtain the dynamic distribution of flow parameters in the water chamber under different working conditions. The results found that to ensure the safety of the water tank, as long as to ensure that the high-pressure air into the water tank at the end of the first two stages, the “bubble” movement process always does not interfere with the bulkhead, you can ensure that the high-pressure air in the water tank in the free expansion and gravity floating state, the water tank pressure will be only slightly higher than “gas - water cross-section” of the static pressure, at this moment the water chamber safety.
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29

Bickel, Thomas. "Spreading dynamics of reactive surfactants driven by Marangoni convection." Soft Matter 15, no. 18 (2019): 3644–48. http://dx.doi.org/10.1039/c8sm02641f.

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30

Kumar, Manoj, and Joseph S. Francisco. "Ion pair particles at the air–water interface." Proceedings of the National Academy of Sciences 114, no. 47 (November 6, 2017): 12401–6. http://dx.doi.org/10.1073/pnas.1709118114.

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Although the role of methanesulfonic acid (HMSA) in particle formation in the gas phase has been extensively studied, the details of the HMSA-induced ion pair particle formation at the air–water interface are yet to be examined. In this work, we have performed Born–Oppenheimer molecular dynamics simulations and density functional theory calculations to investigate the ion pair particle formation from HMSA and (R1)(R2)NH (for NH3, R1= R2= H; for CH3NH2, R1= H and R2= CH3; and for CH3NH2, R1= R2= CH3) at the air–water interface. The results show that, at the air–water interface, HMSA deprotonates within a few picoseconds and results in the formation of methanesulfonate ion (MSA−)⋅⋅H3O+ion pair. However, this ion pair decomposes immediately, explaining why HMSA and water alone are not sufficient for forming stable particles in atmosphere. Interestingly, the particle formation from the gas-phase hydrogen-bonded complexes of HMSA with (R1)(R2)NH on the water droplet is observed with a few femtoseconds, suggesting a mechanism for the gas to particle conversion in aqueous environments. The reaction involves a direct proton transfer between HMSA and (R1)(R2)NH, and the resulting MSA−⋅⋅(R1)(R2)NH2+complex is bound by one to four interfacial water molecules. The mechanistic insights gained from this study may serve as useful leads for understanding about the ion pair particle formation from other precursors in forested and polluted urban environments.
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31

Han, Fei, Qian Shen, Wei Zheng, Jingnan Zuo, Xinyu Zhu, Jingwen Li, Chao Peng, Bin Li, and Yijie Chen. "The Conformational Changes of Bovine Serum Albumin at the Air/Water Interface: HDX-MS and Interfacial Rheology Analysis." Foods 12, no. 8 (April 10, 2023): 1601. http://dx.doi.org/10.3390/foods12081601.

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The characterization and dynamics of protein structures upon adsorption at the air/water interface are important for understanding the mechanism of the foamability of proteins. Hydrogen–deuterium exchange, coupled with mass spectrometry (HDX-MS), is an advantageous technique for providing conformational information for proteins. In this work, an air/water interface, HDX-MS, for the adsorbed proteins at the interface was developed. The model protein bovine serum albumin (BSA) was deuterium-labeled at the air/water interface in situ for different predetermined times (10 min and 4 h), and then the resulting mass shifts were analyzed by MS. The results indicated that peptides 54–63, 227–236, and 355–366 of BSA might be involved in the adsorption to the air/water interface. Moreover, the residues L55, H63, R232, A233, L234, K235, A236, R359, and V366 of these peptides might interact with the air/water interface through hydrophobic and electrostatic interactions. Meanwhile, the results showed that conformational changes of peptides 54–63, 227–236, and 355–366 could lead to structural changes in their surrounding peptides, 204–208 and 349–354, which could cause the reduction of the content of helical structures in the rearrangement process of interfacial proteins. Therefore, our air/water interface HDX-MS method could provide new and meaningful insights into the spatial conformational changes of proteins at the air/water interface, which could help us to further understand the mechanism of protein foaming properties.
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32

Rufeil-Fiori, Elena, and Adolfo J. Banchio. "Domain size polydispersity effects on the structural and dynamical properties in lipid monolayers with phase coexistence." Soft Matter 14, no. 10 (2018): 1870–78. http://dx.doi.org/10.1039/c7sm02099f.

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33

Phan, C. M., H. Nakahara, O. Shibata, Y. Moroi, C. V. Nguyen, and D. Chaudhary. "Surface Potential of MIBC at Air/Water Interface: a Molecular Dynamics Study." e-Journal of Surface Science and Nanotechnology 10 (2012): 437–40. http://dx.doi.org/10.1380/ejssnt.2012.437.

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34

Kawaguchi, Masami, Bryan B. Sauer, and Hyuk Yu. "Polymeric monolayer dynamics at the air/water interface by surface light scattering." Macromolecules 22, no. 4 (July 1989): 1735–43. http://dx.doi.org/10.1021/ma00194a039.

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35

Yoneya, Makoto, Keiko M. Aoki, Yuka Tabe, and Hiroshi Yokoyama. "MOLECULAR DYNAMICS SIMULATIONS OF LIQUID CRYSTAL MOLECULES AT AN AIR-WATER INTERFACE." Molecular Crystals and Liquid Crystals 413, no. 1 (January 2004): 161–69. http://dx.doi.org/10.1080/15421400490437196.

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36

Stocco, A., K. Tauer, S. Pispas, and R. Sigel. "Dynamics at the air-water interface revealed by evanescent wave light scattering." European Physical Journal E 29, no. 1 (May 2009): 95–105. http://dx.doi.org/10.1140/epje/i2009-10455-1.

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37

Zimdars, David, and Kenneth B. Eisenthal. "Effect of Solute Orientation on Solvation Dynamics at the Air/Water Interface." Journal of Physical Chemistry A 103, no. 49 (December 1999): 10567–70. http://dx.doi.org/10.1021/jp992746t.

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38

Jiang, Q., and Y. C. Chiew. "Dynamics of adsorption and desorption of proteins at an air/water interface." Colloids and Surfaces B: Biointerfaces 20, no. 4 (April 2001): 303–8. http://dx.doi.org/10.1016/s0927-7765(00)00154-5.

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39

Svitova, T. F., M. J. Wetherbee, and C. J. Radke. "Dynamics of surfactant sorption at the air/water interface: continuous-flow tensiometry." Journal of Colloid and Interface Science 261, no. 1 (May 2003): 170–79. http://dx.doi.org/10.1016/s0021-9797(02)00241-2.

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40

Tarek, Mounir, Douglas J. Tobias, and Michael L. Klein. "Molecular Dynamics Simulation of Tetradecyltrimethylammonium Bromide Monolayers at the Air/Water Interface." Journal of Physical Chemistry 99, no. 5 (February 1995): 1393–402. http://dx.doi.org/10.1021/j100005a006.

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41

Chang, C. H., N. H. L. Wang, and E. I. Franses. "Adsorption dynamics of single and binary surfactants at the air/water interface." Colloids and Surfaces 62, no. 4 (March 1992): 321–32. http://dx.doi.org/10.1016/0166-6622(92)80058-a.

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42

Kim, Junhyung, and Dongil Lee. "Electron Hopping Dynamics in Au38Nanoparticle Langmuir Monolayers at the Air/Water Interface." Journal of the American Chemical Society 128, no. 14 (April 2006): 4518–19. http://dx.doi.org/10.1021/ja058395f.

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43

Liu, Bin, Matthew I. Hoopes, and Mikko Karttunen. "Molecular Dynamics Simulations of DPPC/CTAB Monolayers at the Air/Water Interface." Journal of Physical Chemistry B 118, no. 40 (September 26, 2014): 11723–37. http://dx.doi.org/10.1021/jp5050892.

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44

Deshmukh, Omkar S., Armando Maestro, Michel H. G. Duits, Dirk van den Ende, Martien Cohen Stuart, and Frieder Mugele. "Equation of state and adsorption dynamics of soft microgel particles at an air–water interface." Soft Matter 10, no. 36 (2014): 7045–50. http://dx.doi.org/10.1039/c4sm00566j.

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PNIPAM microgel particles deform substantially upon adsorbing onto an air–water interface. The adsorption is initially controlled by the diffusion of particles to the interface followed by a slow exponential relaxation at long times.
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45

Galib, Mirza, and Gabriel Hanna. "Molecular dynamics simulations predict an accelerated dissociation of H2CO3 at the air–water interface." Phys. Chem. Chem. Phys. 16, no. 46 (2014): 25573–82. http://dx.doi.org/10.1039/c4cp03302g.

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46

Li, Yunzhi, Yaoyao Wei, Xia Leng, Guokui Liu, Qiying Xia, and Honglei Wang. "Molecular dynamics simulations on fullerene surfactants with different charges at the air–water interface." Physical Chemistry Chemical Physics 22, no. 28 (2020): 16353–58. http://dx.doi.org/10.1039/d0cp01979h.

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47

Bonn, Mischa, Cho-Shuen Hsieh, Lukasz Piatkowski, Huib J. Bakker, and Zhen Zhang. "Ultrafast dynamics of water at the water-air interface studied by femtosecond surface vibrational spectroscopy." EPJ Web of Conferences 41 (2013): 06009. http://dx.doi.org/10.1051/epjconf/20134106009.

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48

Krägel, J., M. O'Neill, A. V. Makievski, M. Michel, M. E. Leser, and R. Miller. "Dynamics of mixed protein–surfactant layers adsorbed at the water/air and water/oil interface." Colloids and Surfaces B: Biointerfaces 31, no. 1-4 (September 2003): 107–14. http://dx.doi.org/10.1016/s0927-7765(03)00047-x.

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49

Khatib, Rémi, Taisuke Hasegawa, Marialore Sulpizi, Ellen H. G. Backus, Mischa Bonn, and Yuki Nagata. "Molecular Dynamics Simulations of SFG Librational Modes Spectra of Water at the Water–Air Interface." Journal of Physical Chemistry C 120, no. 33 (August 17, 2016): 18665–73. http://dx.doi.org/10.1021/acs.jpcc.6b06371.

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50

Murdachaew, Garold, Gilbert M. Nathanson, R. Benny Gerber, and Lauri Halonen. "Deprotonation of formic acid in collisions with a liquid water surface studied by molecular dynamics and metadynamics simulations." Physical Chemistry Chemical Physics 18, no. 43 (2016): 29756–70. http://dx.doi.org/10.1039/c6cp06071d.

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