pure line theory - PMC

Giovanni Li Manni, Ignacio Fdez. Galván, Ali Alavi, Flavia Aleotti, Francesco Aquilante, Jochen Autschbach, Davide Avagliano, Alberto Baiardi, Jie J. Bao, Stefano Battaglia, Letitia Birnoschi, Alejandro Blanco-González, Sergey I. Bokarev, Ria Broer, Roberto Cacciari, Paul B. Calio, Rebecca K. Carlson, Rafael Carvalho Couto, Luis Cerdán, Liviu F. Chibotaru, Nicholas F. Chilton, Jonathan Richard Church, Irene Conti, Sonia Coriani, Juliana Cuéllar-Zuquin, Razan E. Daoud, Nike Dattani, Piero Decleva, Coen de Graaf, Mickaël G. Delcey, Luca De Vico, Werner Dobrautz, Sijia S. Dong, Rulin Feng, Nicolas Ferré, Michael Filatov(Gulak), Laura Gagliardi, Marco Garavelli, Leticia González, Yafu Guan, Meiyuan Guo, Matthew R. Hennefarth, Matthew R. Hermes, Chad E. Hoyer, Miquel Huix-Rotllant, Vishal Kumar Jaiswal, Andy Kaiser, Danil S. Kaliakin, Marjan Khamesian, Daniel S. King, Vladislav Kochetov, Marek Krośnicki, Arpit Arun Kumaar, Ernst D. Larsson, Susi Lehtola, Marie-Bernadette Lepetit, Hans Lischka, Pablo López Ríos, Marcus Lundberg, Dongxia Ma, Sebastian Mai, Philipp Marquetand, Isabella C. D. Merritt, Francesco Montorsi, Maximilian Mörchen, Artur Nenov, Vu Ha Anh Nguyen, Yoshio Nishimoto, Meagan S. Oakley, Massimo Olivucci, Markus Oppel, Daniele Padula, Riddhish Pandharkar, Quan Manh Phung, Felix Plasser, Gerardo Raggi, Elisa Rebolini, Markus Reiher, Ivan Rivalta, Daniel Roca-Sanjuán, Thies Romig, Arta Anushirwan Safari, Aitor Sánchez-Mansilla, Andrew M. Sand, Igor Schapiro, Thais R. Scott, Javier Segarra-Martí, Francesco Segatta, Dumitru-Claudiu Sergentu, Prachi Sharma, Ron Shepard, Yinan Shu, Jakob K. Staab, Tjerk P. Straatsma, Lasse Kragh Sørensen, Bruno Nunes Cabral Tenorio, Donald G. Truhlar, Liviu Ungur, Morgane Vacher, Valera Veryazov, Torben Arne Voß, Oskar Weser, Dihua Wu, Xuchun Yang, David Yarkony, Chen Zhou, J. Patrick Zobel, Roland Lindh

J Chem Theory Comput. 2023 Oct 24; 19(20): 6933–6991. Published online 2023 May 22. doi: 10.1021/acs.jctc.3c00182

PMCID:: PMC10601490

Abstract Article PDF–15M

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A no-go theorem for theories that decohere to quantum mechanics

Ciarán M. Lee, John H. Selby

Proc Math Phys Eng Sci. 2018 Jun; 474(2214): 20170732. Published online 2018 Jun 27. doi: 10.1098/rspa.2017.0732

PMCID:: PMC6030652

Abstract Article PDF–2.3M

Select item 903310710.

A Toss without a Coin: Information, Discontinuity, and Mathematics in Quantum Theory

Arkady Plotnitsky

Entropy (Basel) 2022 Apr; 24(4): 532. Published online 2022 Apr 10. doi: 10.3390/e24040532

PMCID:: PMC9033107

Abstract Article PDF–369K

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The feelings of knowing – fundamental interoceptive patterns (FoK-FIP) system: connecting consciousness to physics

Holly Pollard-Wright

Commun Integr Biol. 2023; 16(1): 2260682. Published online 2023 Sep 27. doi: 10.1080/19420889.2023.2260682

PMCID:: PMC10538454

Abstract Article PDF–3.4M

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The Minimal Phenomenal Experience questionnaire (MPE-92M): Towards a phenomenological profile of “pure awareness” experiences in meditators

Alex Gamma, Thomas Metzinger

PLoS One. 2021; 16(7): e0253694. Published online 2021 Jul 14. doi: 10.1371/journal.pone.0253694

PMCID:: PMC8279394

Abstract Article PDF–2.5M

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Binary Mixture Droplet Evaporation on Microstructured Decorated Surfaces and the Mixed Stick–Slip Modes

Khaloud Moosa Al Balushi, Gail Duursma, Prashant Valluri, Khellil Sefiane, Daniel Orejon

Langmuir. 2023 Jun 13; 39(23): 8323–8338. Published online 2023 Jun 5. doi: 10.1021/acs.langmuir.3c00914

PMCID:: PMC10269432

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Review of lattice results concerning low-energy particle physics: Flavour Lattice Averaging Group (FLAG)

S. Aoki, Y. Aoki, D. Bečirević, C. Bernard, T. Blum, G. Colangelo, M. Della Morte, P. Dimopoulos, S. Dürr, H. Fukaya, M. Golterman, Steven Gottlieb, S. Hashimoto, U. M. Heller, R. Horsley, A. Jüttner, T. Kaneko, L. Lellouch, H. Leutwyler, C.-J. D. Lin, V. Lubicz, E. Lunghi, R. Mawhinney, T. Onogi, C. Pena, C. T. Sachrajda, S. R. Sharpe, S. Simula, R. Sommer, A. Vladikas, U. Wenger, H. Wittig

Eur Phys J C Part Fields. 2017; 77(2): 112. Published online 2017 Feb 17. doi: 10.1140/epjc/s10052-016-4509-7

PMCID:: PMC5588406

Abstract Article PDF–7.3M

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DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science

Andrew M. Teale, Trygve Helgaker, Andreas Savin, Carlo Adamo, Bálint Aradi, Alexei V. Arbuznikov, Paul W. Ayers, Evert Jan Baerends, Vincenzo Barone, Patrizia Calaminici, Eric Cancès, Emily A. Carter, Pratim Kumar Chattaraj, Henry Chermette, Ilaria Ciofini, T. Daniel Crawford, Frank De Proft, John F. Dobson, Claudia Draxl, Thomas Frauenheim, Emmanuel Fromager, Patricio Fuentealba, Laura Gagliardi, Giulia Galli, Jiali Gao, Paul Geerlings, Nikitas Gidopoulos, Peter M. W. Gill, Paola Gori-Giorgi, Andreas Görling, Tim Gould, Stefan Grimme, Oleg Gritsenko, Hans Jørgen Aagaard Jensen, Erin R. Johnson, Robert O. Jones, Martin Kaupp, Andreas M. Köster, Leeor Kronik, Anna I. Krylov, Simen Kvaal, Andre Laestadius, Mel Levy, Mathieu Lewin, Shubin Liu, Pierre-François Loos, Neepa T. Maitra, Frank Neese, John P. Perdew, Katarzyna Pernal, Pascal Pernot, Piotr Piecuch, Elisa Rebolini, Lucia Reining, Pina Romaniello, Adrienn Ruzsinszky, Dennis R. Salahub, Matthias Scheffler, Peter Schwerdtfeger, Viktor N. Staroverov, Jianwei Sun, Erik Tellgren, David J. Tozer, Samuel B. Trickey, Carsten A. Ullrich, Alberto Vela, Giovanni Vignale, Tomasz A. Wesolowski, Xin Xu, Weitao Yang

Phys Chem Chem Phys. 2022 Dec 7; 24(47): 28700–28781. Published online 2022 Aug 10. doi: 10.1039/d2cp02827a

PMCID:: PMC9728646

Abstract Article

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Recent advances in density functional theory approach for optoelectronics properties of graphene

A.L. Olatomiwa, Tijjani Adam, C.O. Edet, A.A. Adewale, Abdullah Chik, Mohammed Mohammed, Subash C.B. Gopinath, U. Hashim

Heliyon. 2023 Mar; 9(3): e14279. Published online 2023 Mar 7. doi: 10.1016/j.heliyon.2023.e14279

PMCID:: PMC10025043

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Game Theory in Defence Applications: A Review

Edwin Ho, Arvind Rajagopalan, Alex Skvortsov, Sanjeev Arulampalam, Mahendra Piraveenan

Sensors (Basel) 2022 Feb; 22(3): 1032. Published online 2022 Jan 28. doi: 10.3390/s22031032

PMCID:: PMC8838118

Abstract Article PDF–775K

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Biodiversity as insurance: from concept to measurement and application

Michel Loreau, Matthieu Barbier, Elise Filotas, Dominique Gravel, Forest Isbell, Steve J. Miller, Jose M. Montoya, Shaopeng Wang, Raphaël Aussenac, Rachel Germain, Patrick L. Thompson, Andrew Gonzalez, Laura E. Dee

Biol Rev Camb Philos Soc. 2021 Oct; 96(5): 2333–2354. Published online 2021 Jun 2. doi: 10.1111/brv.12756

PMCID:: PMC8519139

Abstract Article PDF–1.0M

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Theoretical Advances in Polariton Chemistry and Molecular Cavity Quantum Electrodynamics

Arkajit Mandal, Michael A.D. Taylor, Braden M. Weight, Eric R. Koessler, Xinyang Li, Pengfei Huo

Chem Rev. 2023 Aug 23; 123(16): 9786–9879. Published online 2023 Aug 8. doi: 10.1021/acs.chemrev.2c00855

PMCID:: PMC10450711

Abstract Article PDF–39M

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Effect of End Groups on the Cloud Point Temperature of Aqueous Solutions of Thermoresponsive Polymers: An Inside View by Flory–Huggins Theory

Thi To Nga Dang, Erik Nies

Polymers (Basel) 2024 Feb; 16(4): 563. Published online 2024 Feb 19. doi: 10.3390/polym16040563

PMCID:: PMC10893037

Abstract Article PDF–5.5M

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PMC Images search for pure line theory

Figure 7The EOSs of pure neutron matter with LOBEP1 and Bonn A potential in RBHF theory.

The Bonn A potential results are shown in dashed curve. The LOBEP1 ones are given in solid line.

The properties of nuclear matter with lattice NN potential in relativistic Brueckner-Hartree-Fock theory

Sci Rep. 2016;6:35590.
Figure 5

(a) Growth of the largest nucleus in eight simulations of isothermal nucleation of pure PE oligomers; (b) mean-first-passage time (MFPT) for the largest crystalline nucleus reaching size in pure PE oligomers, fitting to the classical nucleation theory (curve); incubation time marked by a dashed line.

Molecular Dynamics Simulations of Crystal Nucleation near Interfaces in Incompatible Polymer Blends

Polymers (Basel). 2021 Feb;13(3):347.
Figure 6

The film thickness on a brass wire (R = 0.255 mm) vs. capillary number. Pure viscous fluids (pure BA, hexadecane) and viscoelastic fluids (PVB-BA solutions) were examined. The solid line is Equation (10), the LLD theory for fibers ( ). The data on the right side of the dashed vertical line have the greatest accuracy with the given methodology.

The Thickness and Structure of Dip-Coated Polymer Films in the Liquid and Solid States

Micromachines (Basel). 2022 Jul;13(7):982.
FIGURE 7

Comparison of experimental and theoretical resistances generated by purging pure glycerin (gray line) and fibrin glue (black line) from Tygon tubes. The diagonal dashed line indicates perfect correlation of tube pressure described by and the experimentally determined maximum purging pressures. Maximum purging pressure increased with percent tube occlusion and fibrin glue viscosity as theoretically predicted; however, maximum pressures generated when purging pure glycerin from the range of percent occluded tubes () were higher than predicted by theory, whereas maximum pressures generated when purging fibrin with a range of experimentally measured apparent viscosities from tubes [] were lower than predicted by theory.

Coagulation-induced resistance to fluid flow in small-diameter vascular grafts and graft mimics measured by purging pressure

J Biomed Mater Res B Appl Biomater. ;101(8):1367-1376.