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Literature DB >> 23550154

A closer look at supercritical water.

Giulia Galli¹, Ding Pan.

Abstract

Entities: Chemical

Mesh：

Substances：
Water

Year: 2013 PMID： 23550154 PMCID： PMC3631657 DOI： 10.1073/pnas.1303740110

Source DB: PubMed Journal: Proc Natl Acad Sci U S A ISSN： 0027-8424 Impact factor: 11.205

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16 in total

1. Towards an assessment of the accuracy of density functional theory for first principles simulations of water. II.

Authors: Eric Schwegler; Jeffrey C Grossman; Francois Gygi; Giulia Galli
Journal: J Chem Phys Date: 2004-09-15 Impact factor: 3.488

2. Unified approach for molecular dynamics and density-functional theory.

Authors:
Journal: Phys Rev Lett Date: 1985-11-25 Impact factor: 9.161

3. Spectroscopic characterization of microscopic hydrogen-bonding disparities in supercritical water.

Authors: Ph Wernet; D Testemale; J-L Hazemann; R Argoud; P Glatzel; L G M Pettersson; A Nilsson; U Bergmann
Journal: J Chem Phys Date: 2005-10-15 Impact factor: 3.488

4. Tetrahedral structure or chains for liquid water.

Authors: Teresa Head-Gordon; Margaret E Johnson
Journal: Proc Natl Acad Sci U S A Date: 2006-05-12 Impact factor: 11.205

5. Density fluctuations in liquid water.

Authors: Niall J English; John S Tse
Journal: Phys Rev Lett Date: 2011-01-18 Impact factor: 9.161

6. Microscopic structure of water at elevated pressures and temperatures.

Authors: Christoph J Sahle; Christian Sternemann; Christian Schmidt; Susi Lehtola; Sandro Jahn; Laura Simonelli; Simo Huotari; Mikko Hakala; Tuomas Pylkkänen; Alexander Nyrow; Kolja Mende; Metin Tolan; Keijo Hämäläinen; Max Wilke
Journal: Proc Natl Acad Sci U S A Date: 2013-03-11 Impact factor: 11.205

7. Benchmark oxygen-oxygen pair-distribution function of ambient water from x-ray diffraction measurements with a wide Q-range.

Authors: Lawrie B Skinner; Congcong Huang; Daniel Schlesinger; Lars G M Pettersson; Anders Nilsson; Chris J Benmore
Journal: J Chem Phys Date: 2013-02-21 Impact factor: 3.488

8. Electronic excitations in light absorbers for photoelectrochemical energy conversion: first principles calculations based on many body perturbation theory.

Authors: Yuan Ping; Dario Rocca; Giulia Galli
Journal: Chem Soc Rev Date: 2013-02-21 Impact factor: 54.564

A closer look at supercritical water.

1. Towards an assessment of the accuracy of density functional theory for first principles simulations of water. II.

2. Unified approach for molecular dynamics and density-functional theory.

3. Spectroscopic characterization of microscopic hydrogen-bonding disparities in supercritical water.

4. Tetrahedral structure or chains for liquid water.

5. Density fluctuations in liquid water.

6. Microscopic structure of water at elevated pressures and temperatures.

7. Benchmark oxygen-oxygen pair-distribution function of ambient water from x-ray diffraction measurements with a wide Q-range.

8. Electronic excitations in light absorbers for photoelectrochemical energy conversion: first principles calculations based on many body perturbation theory.

9. First Principles Simulations of the Infrared Spectrum of Liquid Water Using Hybrid Density Functionals.

10. Structural and Vibrational Properties of Liquid Water from van der Waals Density Functionals.

Review 1. Dynamics & Spectroscopy with Neutrons-Recent Developments & Emerging Opportunities.

2. The refractive index and electronic gap of water and ice increase with increasing pressure.