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On the van der Waals Gas, Contact Geometry and the Toda Chain

Diego Alarcón, P. Fernández de Córdoba, J. Isidro, Carlos Orea
2018 Entropy  
A Todachain symmetry is shown to underlie the van der Waals gas and its close cousin, the ideal gas. Links to contact geometry are explored.  ...  Acknowledgments: J.M.I. wishes to thank the organisers of the congress "Entropy 2018: From Physics to Information Sciences and Geometry", Barcelona, for the opportunity to present a preliminary version  ...  Conflicts of Interest: The authors declare no conflict of interest.  ... 
doi:10.3390/e20080554 pmid:33265643 fatcat:tvhi7lkbtzfq5awlsn4hqykjm4

ORGANIC HOST–GUEST STRUCTURES IN THE SOLID STATE [chapter]

ASHWINI NANGIA
2004 Series on Chemical Engineering  
Clathrate compounds have applications in the design of tailored catalysts, supramolecular materials for magnetism, electrooptics and NLO, chemical separation and gas storage technologies, and targeted  ...  Recent examples of one-dimensional channel and twodimensional layer frameworks from our research laboratory are highlighted.  ...  The up-down orientation of adjacent groups in hexa-hosts led to the concept of Piedfort unit or the stacking of two trigonal benzene rings juxtaposed at van der Waals contact.  ... 
doi:10.1142/9781860946561_0006 fatcat:54bpkjv3gfbtzngg2vwmvg3n3a

Organic Airborne Molecular Contamination in Semiconductor Fabrication Clean Rooms

Walter Den, Hsunling Bai, Yuhao Kang
2006 Journal of the Electrochemical Society  
The current understandings of the AMC, particularly those with organic origins, are presented comprehensively in this article based on the research reports within the past ten years.  ...  and chemical characteristics, together with the kinetic models delineating the rates of deposition for both single-and multiple-contaminant scenarios.  ...  All of these designs are to prolong the contact time and to increase the contact surface area between the media and gas.  ... 
doi:10.1149/1.2147286 fatcat:5hpr5x5l2fe33du5zq4jq5euea

A Different Approach to Enantioselective Organic Synthesis: Absolute Asymmetric Synthesis of Organometallic Reagents

Anders Lennartson, Susanne Olsson, Jonas Sundberg, Mikael Håkansson
2009 Angewandte Chemie International Edition  
In the case of a helical coordination polymer based on copper(I) chloride and triallylamine, it was found that repeated synthesis always yielded an excess of the same enantiomer, possibly due to the influence  ...  This has generally been regarded as impossible and is relevant in the discussion of the origins of biomolecular homochirality.  ...  There are no interactions within van der Waals contact between the [Dy(oda) 3 ] 3anions.  ... 
doi:10.1002/anie.200806222 pmid:19322856 fatcat:hnzhfcpkjvcvxeba54oeame4g4

Crystal engineering, solid state spectroscopy and time-resolved diffraction

Philip Coppens, Baoqing Ma, Oxana Gerlits, Yuegang Zhang, Pankaj Kulshrestha
2002 CrysteEngComm  
The excited state lifetimes that have been measured show a pronounced dependence on the molecular environment.  ...  The use of calixarene-based supramolecular solids in spectroscopy and time-resolved crystallography is discussed.  ...  Acknowledgements Support of this work by the National Science Foundation (CHE9981864), and the Petroleum Research Fund of the American Chemical Society (PRF32638AC3 and PRF37614AC3) is gratefully acknowledged  ... 
doi:10.1039/b203602a fatcat:vkaytzdfzjdc5a7vwmid7shyii

Layered Perovskites in Solar Cells: Structure, Optoelectronic Properties, and Device Design

Dumitru Sirbu, Folusho Helen Balogun, Rebecca L. Milot, Pablo Docampo
2021 Advanced Energy Materials  
[225] The contacting interface in the 3D perovskite, I or PbI, and its van der Waals interaction with the LPK layer are critical in determining the electrical properties and charge transfer characteristics  ...  [23, 24] The organic bilayer is normally held together by van der Waals forces and π-π interactions in the case of aromatic spacers.  ...  Her research focus is on analyzing halide perovskite materials using terahertz spectroscopy, transient absorption spectroscopy, and time-correlated single-photon counting.  ... 
doi:10.1002/aenm.202003877 fatcat:ll35sj7bwrfbdfvv7hlrumsjtu

Cold atoms in low dimensions – a laboratory for quantum dynamics [article]

S.I. Mistakidis, A.G. Volosniev, R.E. Barfknecht, T. Fogarty, Th. Busch, A. Foerster, P. Schmelcher, N.T. Zinner
2022 arXiv   pre-print
We mainly focus on bosonic systems in one dimension and provide an introduction to the well-known static properties before we discuss the state-of-the-art quantum dynamical processes stimulated by the  ...  The accelerating developments in the field have led to a highly advanced set of engineering techniques that, among others, can tune interactions, shape the external geometry, select among a large set of  ...  ACKNOWLEDGMENTS This review could not have been written without the many fruitful discussions and great collaborations with colleagues throughout the years, there are too many to mention.  ... 
arXiv:2202.11071v1 fatcat:6ba2vycqezaollb3r5izkzeyt4

Suppression of Electron Transfer to Dioxygen by Charge Transfer and Electron Transfer Complexes in the FAD-dependent Reductase Component of Toluene Dioxygenase

Tzong-Yuan Lin, Tobias Werther, Jae-Hun Jeoung, Holger Dobbek
2012 Journal of Biological Chemistry  
Attraction between the two proteins is likely mediated by opposite charges at one large patch of the complex interface.  ...  We investigated the kinetics of the reductase in the reductive and oxidative half-reaction and detected a stable charge-transfer complex between the reduced reductase and NAD + at the end of the reductive  ...  All molecules are shown with transparent surfaces indicating their van-der-Waals radii.  ... 
doi:10.1074/jbc.m112.374918 pmid:22992736 pmcid:PMC3488102 fatcat:lypy3uuicrcadgpzn46tjtybli

Instabilities, nucleation, and critical behavior in nonequilibrium driven fluids: theory and simulation [article]

Manuel Diez-Minguito
2011 arXiv   pre-print
We focus here on two main classes, namely, driven--diffusive fluids and driven granular gases.  ...  The main subject of this thesis rests on the study ---at different levels of description--- of instabilities in systems which are driven, i.e., maintained far from equilibrium by an external forcing.  ...  An apparently related phenomenon has been recently reported for rectangular geometry, in the context of a van der Waals-like phase separation in a granular gas driven by a thermal wall [147] .  ... 
arXiv:1106.1289v1 fatcat:3i6l2vuh5bfalgsk5gpq3qm4vy

Experimental mathematics

Michiel Hazewinkel
1985 Mathematical Modelling  
Re phase transitions and the van der Waals picture of liquids "A remarkable revival of the van der WaaIs picture of liquids occurred during the last two decades.  ...  The Toda lattice of Figs. 14, 15, and 16 is the one with Hamiltonian H =%@frn,-' +p:m2-')+ exp(-q2+q,)+exp(q2)-3.  ...  The key words here are "fractals", "percolation", "random walks (especially non-intersecting)", and "chaos". A recent workshop on the topic took place at the IMA in Madison, Wisconsin in Feb. 1983 .  ... 
doi:10.1016/0270-0255(85)90044-2 fatcat:76yrkr3bdjahfmkp5p5kpmvo34

In Silico Studies of Lamiaceae Diterpenes with Bioinsecticide Potential against Aphis gossypii and Drosophila melanogaster

Gabriela Cristina Soares Rodrigues, Mayara dos Santos Maia, Andreza Barbosa Silva Cavalcanti, Natália Ferreira de Sousa, Marcus Tullius Scotti, Luciana Scotti
2021 Molecules  
The growing demand for agricultural products has led to the misuse/overuse of insecticides; resulting in the use of higher concentrations and the need for ever more toxic products.  ...  Results and conclusion: Structure analysis revealed ent-kaurane, kaurene, and clerodane diterpenes as the most active, showing excellent results.  ...  function were set at 4.0 for van der Waals and 2.5 for hydrogen bonding [123, 125] .  ... 
doi:10.3390/molecules26030766 pmid:33540716 pmcid:PMC7867283 fatcat:useimfpklrexnbj6qdpmiflchi

Breathing, bubbling, and bending: DNA flexibility from multimicrosecond simulations

Ari Zeida, Matías Rodrigo Machado, Pablo Daniel Dans, Sergio Pantano
2012 Physical Review E  
Coarse grain potential: a model for DNA in implicit and explicit solvent. En "A course on biomolecular simulations", ed. Jordi Villà-Freixa, Huygens Editorial, en prensa. 5.  ...  Machado MR, Dans PD, Pantano S. (2010) Isoform-specific determinants in the HP1 binding to histone 3: insights from molecular simulations.  ...  The semi transparent spheres provide an idea of van der Waals radii on the same relative scale between the CG particles.  ... 
doi:10.1103/physreve.86.021903 pmid:23005781 fatcat:4zrcbyqdpfe2bb6ss3l6q5bunm

Theoretical models to predict the inhibitory effect of ligands of sphingosine kinase 1 using QTAIM calculations and hydrogen bond dynamic propensity analysis

Marcela Vettorazzi, Cintia Menéndez, Lucas Gutiérrez, Sebastián Andujar, Gustavo Appignanesi, Ricardo D. Enriz
2018 Journal of Computer-Aided Molecular Design  
.; Spiegel S. and Enriz, R. Archiv Der Pharmazie (2018).  ...  .  Theoretical models to predict the inhibitory effect of ligands of sphingosine kinase 1 using QTAIM calculations and hydrogen bond dynamic propensity analysis.  ...  El cloro en la posición 'meta' hace interacciones de van der Waals con M306, L261 y L268. Al mismo tiempo, el cloro en la posición 'para' hace contactos de van der Waals con F288, H311 y L319.  ... 
doi:10.1007/s10822-018-0129-7 pmid:29971548 fatcat:dqx23ifg4fbe3mlx7jrszr2d2u

Influence of cobalt chromium alloy surface modification on the roughness and wettability behavior of pine oil/hydroxyapatite as coating

F A Vechietti, N O Muniz, K Rezwan, M Schumacher, M Gelinsky, L A Loureiro dos Santos
2018 Materials Research Express  
D i s s e r t a t i o n s s c h r i f t zur Erlangung des akademischen Grades Doctor of Philosophy (Ph.D.), vorgelegt der Medizinischen  ...  ______________________________________________________________________ Pine oil mixed with hydroxyapatite for coating on CoCr alloy under heat treatment as a biomaterial for bone replacement application  ...  force), which lead to development of van der Waals forces between the molecules (Harun et al., 2017) .  ... 
doi:10.1088/2053-1591/aae8d6 fatcat:g553cwymkbctjalj2zfgg6fwhi

Predicting experimental results for polyethylene by computer simulation

J. Ramos, J.F. Vega, J. Martínez-Salazar
2018 European Polymer Journal  
We are indebted to the Spanish oil company Repsol for close collaboration over many years of research into the synthesis and properties of polyolefins and rubbers.  ...  Acknowledgments This research work was supported by the CSIC (Spain) -Project PIE201360E097. J.  ...  van der Waals attraction between constituent atoms.  ... 
doi:10.1016/j.eurpolymj.2017.12.027 fatcat:uvo6n3ccjrhdvp6appwo5yqiui
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