Results 281 to 290 of about 12,367,991 (330)

Toward Chemical Accuracy in the Description of Ion-Water Interactions through Many-Body Representations. I. Halide-Water Dimer Potential Energy Surfaces.

Journal of Chemical Theory and Computation, 2016
Despite recent progress, a unified understanding of how ions affect the structure and dynamics of water across different phases remains elusive. Here, we report the development of full-dimensional many-body potential energy functions, called MB-nrg (Many-
P. Bajaj, A. Götz, F. Paesani
semanticscholar   +1 more source

Robust three-body water simulation model.

Journal of Chemical Physics, 2011
The most common potentials used in classical simulations of liquid water assume a pairwise additive form. Although these models have been very successful in reproducing many properties of liquid water at ambient conditions, none is able to describe ...
C. Tainter, P. Pieniazek, Yu-Shan Lin, James L. Skinner   +3 more
semanticscholar   +1 more source

Thermodynamic, diffusional, and structural anomalies in rigid-body water models.

Journal of Physical Chemistry B, 2011
Structural, density, entropy, and diffusivity anomalies of the TIP4P/2005 model of water are mapped out over a wide range of densities and temperatures.
Manish Agarwal, M. P. Alam, C. Chakravarty   +2 more
semanticscholar   +1 more source

Infrared and Raman Spectroscopy of Liquid Water through "First-Principles" Many-Body Molecular Dynamics.

Journal of Chemical Theory and Computation, 2015
Vibrational spectroscopy is a powerful technique to probe the structure and dynamics of water. However, deriving an unambiguous molecular-level interpretation of the experimental spectral features remains a challenge due to the complexity of the ...
Gregory R Medders, F. Paesani
semanticscholar   +1 more source

Metal-Organic Frameworks for the Removal of Emerging Organic Contaminants in Water.

Chemical Reviews, 2020
Water is essential in all aspects of life, being the defining characteristic of our planet and even our body. Regrettably, water pollution is increasingly becoming a challenge due to novel anthropogenic pollutants.
S. Rojas, P. Horcajada
semanticscholar   +1 more source

Bodies of Thought, Bodies of Water

Departures in Critical Qualitative Research, 2016
This essay is an experiment in what happens when you read Kathleen's Stewart's ideas about affect and agency together with Sara Ahmed's consideration of queer orientations and the willful subject as they are played out in stories of adoption, motherhood, choices, and desire.
openaire   +2 more sources

Estimation of total body water by bioelectrical impedance analysis.

American Journal of Clinical Nutrition, 1986
Total body water (TBW) measured by bioelectrical impedance analysis (BIA) was directly compared with deuterium-isotope dilution in a total of 58 subjects. First, sex-specific and group equations were developed by multiple regression analysis in (10 each)
R. Kushner, D. Schoeller
semanticscholar   +1 more source

Yoga Bodies and Bodies of Water

2018
This chapter analyzes the confluence of environmental politics, biopolitics, and the cultural role of yoga in India. It begins with an overview of India’s current economic development challenges and shows how the country’s current prime minister has subsumed both yoga bodies and water bodies into biopolitical discourse to support a neoliberal economic ...
openaire   +1 more source

Body Water Regulation

A Natural History of Amphibians, 2021

semanticscholar   +1 more source

Identification of Water Bodies

2004
As shown in Fig. 2.1, the first step that should be taken in the HMWB and AWB identification and designation process is the identification and description of distinct water bodies.
Wenke Hansen, Eleftheria Kampa
openaire   +2 more sources