(Q51925848)

17 April 2018

title

Phenol-benzene complexation dynamics: quantum chemistry calculation, molecular dynamics simulations, and two dimensional IR spectroscopy. (English)

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17 April 2018

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3

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Cho Minhaeng

object named as

Minhaeng Cho

8

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Michael D. Fayer

7

object named as

M D Fayer

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17 April 2018

author name string

Kijeong Kwac

1

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17 April 2018

Chewook Lee

2

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17 April 2018

Jaebeom Han

4

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17 April 2018

Kyungwon Kwak

5

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17 April 2018

Junrong Zheng

6

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17 April 2018

language of work or name

English

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publication date

1 December 2006

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17 April 2018

Journal of Chemical Physics

published in

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17 April 2018

volume

125

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issue

24

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17 April 2018

page(s)

244508

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17 April 2018

Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics

cites work

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Ultrafast dynamics of solute-solvent complexation observed at thermal equilibrium in real time

21 January 2018

1 reference

Formation and dissociation of intra-intermolecular hydrogen-bonded solute-solvent complexes: chemical exchange two-dimensional infrared vibrational echo spectroscopy

21 January 2018

1 reference

Ultrafast two-dimensional infrared vibrational echo chemical exchange experiments and theory

21 January 2018

1 reference

Vibrational echo correlation spectroscopy probes of hydrogen bond dynamics in water and methanol

21 January 2018

1 reference

Hydrogen bonds in liquid water are broken only fleetingly

21 January 2018

1 reference

Spectral diffusion in a fluctuating charge model of water

21 January 2018

1 reference

Dynamics of water probed with vibrational echo correlation spectroscopy

21 January 2018

1 reference

Orientational dynamics of water confined on a nanometer length scale in reverse micelles

21 January 2018

1 reference

Dynamics of nanoscopic water: vibrational echo and infrared pump-probe studies of reverse micelles

21 January 2018

1 reference

Testing the core/shell model of nanoconfined water in reverse micelles using linear and nonlinear IR spectroscopy

21 January 2018

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Chemical exchange 2D IR of hydrogen-bond making and breaking

21 January 2018

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21 January 2018

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Pronounced non-Condon effects in the ultrafast infrared spectroscopy of water

21 January 2018

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A molecular jump mechanism of water reorientation

21 January 2018

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Non-Gaussian statistics of amide I mode frequency fluctuation of N-methylacetamide in methanol solution: linear and nonlinear vibrational spectra

21 January 2018

1 reference

Estimates of the ab initio limit for pi-pi interactions: the benzene dimer

21 January 2018

1 reference

Origin of attraction and directionality of the pi/pi interaction: model chemistry calculations of benzene dimer interaction

21 January 2018

1 reference

The X3LYP extended density functional accurately describes H-bonding but fails completely for stacking

21 January 2018

1 reference

Note on an Approximation Treatment for Many-Electron Systems

21 January 2018

1 reference

A fifth-order perturbation comparison of electron correlation theories

21 January 2018

1 reference

Scaled opposite-spin second order Møller-Plesset correlation energy: an economical electronic structure method

21 January 2018

1 reference

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

21 January 2018

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Advances in methods and algorithms in a modern quantum chemistry program package.

21 January 2018

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21 January 2018

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Free energy of solvation from molecular dynamics simulation applying Voronoi-Delaunay triangulation to the cavity creation.

21 January 2018

1 reference

Ultrafast vibrational spectroscopy of water and aqueous N-methylacetamide: Comparison of different electronic structure/molecular dynamics approaches

21 January 2018

1 reference

Amide I vibrational dynamics of N-methylacetamide in polar solvents: the role of electrostatic interactions

21 January 2018

1 reference

Use of approximate integrals in ab initio theory. An application in MP2 energy calculations

21 January 2018

1 reference

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

21 January 2018

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Molecular dynamics with coupling to an external bath

21 January 2018

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Fourier Transform Infrared Spectroscopy of Azide Ion in Reverse Micelles

21 January 2018

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Vibrational energy relaxation of aqueous azide ion confined in reverse micelles

21 January 2018

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Reorientation and vibrational energy relaxation of pseudohalide ions confined in reverse micelle water pools

21 January 2018

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1103/PHYSREV.141.391

21 January 2018

1 reference

19 October 2022

Identifiers

DOI

10.1063/1.2403132

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17 April 2018

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17 April 2018