Temperature-Dependent Structural Changes in Liquid Benzene (original) (raw)

Quantum effects in the structure of liquid benzene at room temperature

Bruno Tomberli

Molecular Physics, 2001

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On the structure and dynamics of liquid benzene

Othmar Steinhauser

Chemical Physics, 1982

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Structure and electronic properties of a benzene-water solution

Nuno Galamba

The Journal of Chemical Physics, 2012

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Hydration-Determined Orientational Preferences in Aromatic Association from Benzene Dimer Free Energy Volumes

Riedaa Gamieldien

2012

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Vibrational excitons, resonant energy transfer, and local structure in liquid benzene

Raoul Kopelman

The Journal of Chemical Physics

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Simulated structure, dynamics, and vibrational spectra of liquid benzene

Piero Procacci, Gianni Cardini

Chemical Physics, 2000

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Interaction of functionalized benzene molecules with carbon nanopores

Angela Lindner

Chemical Physics Letters, 2004

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Adsorption and Structure of Benzene on Silica Surfaces and in Nanopores

fabrice audonnet

Langmuir, 2009

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The Behavior of Benzene Confined in Single Wall Carbon Nanotube

Valentin Ryzhov

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Why Does Benzene Possess a D6h Symmetry? A Quasiclassical State Approach for Probing .pi.-Bonding and Delocalization Energies

Avital Shurki

Journal of the American Chemical Society, 1995

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Electronic States of the Benzene Dimer: A Simple Case of Complexity

Kadir Diri

The Journal of Physical Chemistry A, 2012

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Energetics and structure of organic molecules embedded in single-wall carbon nanotubes from first principles: The example of benzene

Matus Milko

Physical Review B, 2011

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Dynamics of liquid benzene: A cage analysis

Antonino Polimeno

The Journal of Chemical Physics, 2005

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Confinement of molecular liquids: consequences on thermodynamic, static and dynamical properties of benzene and toluene

victor TEBOUL, G. Dosseh

The European physical journal. E, Soft matter, 2003

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Modeling benzene with single-site potentials from ab initio calculations: A step toward hybrid models of complex molecules

Alessandro Tani

The Journal of Chemical Physics, 2004

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Quenching of lamellar ordering in an n -alkane embedded in nanopores

Patrick Huber

Europhysics Letters (EPL), 2004

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Carbon nanotubes in benzene: internal and external solvation

Hyung J Kim, Younjoon Jung

Physical Chemistry Chemical Physics, 2011

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Dicationic states of benzene dimer: Benzene dimer cation and benzene dication parenthood patterns

Eugene Kryachko

International Journal of Quantum Chemistry, 2007

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Anisotropic structure and dynamics of the solvation shell of a benzene solute in liquid water from ab initio molecular dynamics simulations

Ashu Choudhary

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An ab initio molecular dynamics study of benzene in water at supercritical conditions: Structure, dynamics, and polarity of hydration shell water and the solute

Ashu Choudhary

The Journal of Chemical Physics, 2019

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The non-covalent nature of the molecular structure of the benzene molecule

Marco Antonio C Nascimento

Physical Chemistry Chemical Physics, 2014

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Low-J rotational spectra, internal rotation, and structures of several benzene-water dimers

E Arunan

The Journal of chemical …, 1993

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Light-Atom Location in Adsorbed Benzene by Experiment and Theory

David King

Physical Review Letters, 2001

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The electronic structure of benzene from a tiling of the correlated 126-dimensional wavefunction

Philip Kilby

Nature Communications, 2020

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A sequential Monte Carlo/Quantum Mechanics study of the dipole polarizability of liquid benzene

Sylvio Canuto

Journal of Computational Methods in Sciences and Engineering, 2004

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Conformational instability of the lowest triplet state of benzene: the result of ab initio calculations

Marc van Hemert

Journal of the American Chemical Society, 1989

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The fast dynamics of benzene in the liquid phase. Part II. A molecular dynamics simulation

Gianni Cardini

Physical Chemistry Chemical Physics, 2001

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A different story of benzene

Sason Shaik

Journal of Molecular Structure: THEOCHEM, 1997

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Conformation, packing, defects, and molecular dynamics in monolayers of dialkyl-substituted benzenes

Jürgen P . Rabe

Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, 1991

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Benzene water interaction: From gaseous dimers to solvated aggregates

Noelia Lago

Chemical Physics, 2012

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Evidence of benzenoid domains in nanographenes

Matteo Baldoni

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Spatial and Orientational Structure of the Hydration Shell of Benzene in Sub- and Supercritical Water

Amalendu Chandra, Ashu Choudhary

The journal of physical chemistry. B, 2015

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The behavior of cyclohexane confined in slit carbon nanopore

Elena Tsiok

The Journal of Chemical Physics, 2015

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A Monte Carlo study of liquid benzene

JHON JAIRO PEREZ SANTAMARIA

Chemical Physics, 1984

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