A new quantum method for electrostatic solvation energy of protein

Ye Mei; Changge Ji; John Z. H. Zhang

doi:10.1063/1.2345201

Characterization of retrograde condensate oil by inverse gas chromatography with linear solvation energy relationship modelling

Acta Chromatographica ◽

10.1556/achrom.22.2010.1.4 ◽

2010 ◽

Vol 22 (1) ◽

pp. 57-67

Author(s):

N. E. Moustafa

Keyword(s):

Gas Chromatography ◽

Inverse Gas Chromatography ◽

Solvation Energy ◽

Linear Solvation Energy Relationship ◽

Linear Solvation Energy ◽

Linear Solvation

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Computational Parameters in Correlation Analysis: Gas-Water Distribution Coefficient

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19991727 ◽

1999 ◽

Vol 64 (11) ◽

pp. 1727-1747 ◽

Cited By ~ 7

Author(s):

George R. Famini ◽

Dalia Benyamin ◽

Christina Kim ◽

Rattiporn Veerawat ◽

Leland Y. Wilson

Keyword(s):

Correlation Analysis ◽

Distribution Coefficient ◽

Water Distribution ◽

Solvation Energy ◽

Linear Solvation Energy Relationships ◽

Linear Solvation Energy Relationship ◽

Energy Relationships ◽

Linear Solvation Energy ◽

Water Equilibrium ◽

Linear Solvation

Theoretical linear solvation energy relationships (TLSER) combine computational molecular parameters with the linear solvation energy relationship (LSER) of Kamlet and Taft to characterize and predict properties of compounds. This paper examines the correlation of the gas-water equilibrium constant for 423 compounds with the TLSER parameters. Also, it describes new parameters designed to improve the TLSER information content.

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ChemInform Abstract: LINEAR SOLVATION ENERGY RELATIONSHIPS. PART 3. SOME REINTERPRETATIONS OF SOLVENT EFFECTS BASED ON CORRELATIONS WITH SOLVENT Π* AND α VALUES

Chemischer Informationsdienst ◽

10.1002/chin.197924030 ◽

1979 ◽

Vol 10 (24) ◽

Author(s):

M. J. KAMLET ◽

R. W. TAFT

Keyword(s):

Solvent Effects ◽

Solvation Energy ◽

Linear Solvation Energy Relationships ◽

Energy Relationships ◽

Linear Solvation Energy ◽

Linear Solvation

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A nuclear spin and spatial symmetry-adapted full quantum method for light particles inside carbon nanotubes: clusters of 3He, 4He, and para-H2

Physical Chemistry Chemical Physics ◽

10.1039/d0cp05332e ◽

2021 ◽

Author(s):

María Pilar de Lara-Castells ◽

Alexander O. Mitrushchenkov

Keyword(s):

Carbon Nanotubes ◽

Carbon Nanotube ◽

Nuclear Spin ◽

Spatial Symmetry ◽

Quantum Method ◽

Light Particles ◽

Full Quantum

A new nuclear spin and spatial symmetry-adapted full quantum method for light fermionic and bosonic particles under cylindrical carbon nanotube confinement.

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Evaluation of a series of phenyl-type stationary phases in supercritical fluid chromatography with the linear solvation energy relationship model and its application to the separation of phenolic compounds

Journal of Chromatography A ◽

10.1016/j.chroma.2019.460700 ◽

2020 ◽

Vol 1614 ◽

pp. 460700 ◽

Cited By ~ 1

Author(s):

Dasen Jiang ◽

Yanxiong Ke ◽

Jianfeng Cai ◽

Huanhuan Zhang ◽

Qing Fu ◽

...

Keyword(s):

Phenolic Compounds ◽

Supercritical Fluid ◽

Supercritical Fluid Chromatography ◽

Stationary Phases ◽

Solvation Energy ◽

Linear Solvation Energy Relationship ◽

Relationship Model ◽

Linear Solvation Energy ◽

Linear Solvation

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ChemInform Abstract: Linear Solvation Energy Relationships. Part 38. An Analysis of the Use of Solvent Parameters in the Correlation of Rate Constants, with Special Reference to the Solvolysis of t-Butyl Chloride.

ChemInform ◽

10.1002/chin.198748084 ◽

1987 ◽

Vol 18 (48) ◽

Author(s):

M. H. ABRAHAM ◽

R. M. DOHERTY ◽

M. J. KAMLET ◽

J. M. HARRIS ◽

R. W. TAFT

Keyword(s):

Special Reference ◽

Rate Constants ◽

Solvation Energy ◽

Linear Solvation Energy Relationships ◽

Butyl Chloride ◽

Solvent Parameters ◽

Energy Relationships ◽

Linear Solvation Energy ◽

Linear Solvation

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ChemInform Abstract: LINEAR SOLVATION ENERGY RELATIONSHIPS. 6. ADDITIONS TO AND CORRELATIONS WITH THE Π* SCALE OF SOLVENT POLARITIES

Chemischer Informationsdienst ◽

10.1002/chin.197948039 ◽

1979 ◽

Vol 10 (48) ◽

Author(s):

M. J. KAMLET ◽

T. N. HALL ◽

J. BOYKIN ◽

R. W. TAFT

Keyword(s):

Solvation Energy ◽

Linear Solvation Energy Relationships ◽

Energy Relationships ◽

Linear Solvation Energy ◽

Linear Solvation

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Comments on ‘an improved characteristic molecular volume parameter for linear solvation energy relationships of acyclic alkanes’

Journal of Physical Organic Chemistry ◽

10.1002/poc.1153 ◽

2007 ◽

Vol 20 (5) ◽

pp. 365-367 ◽

Cited By ~ 5

Author(s):

Christina Mintz ◽

William E. Acree

Keyword(s):

Solvation Energy ◽

Molecular Volume ◽

Linear Solvation Energy Relationships ◽

Energy Relationships ◽

Linear Solvation Energy ◽

Linear Solvation

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N. N. Bogolyubov's quantum method of generating functionals in statistical physics: The current Lie algebra, its representations, and functional equations

Ukrainian Mathematical Journal ◽

10.1007/bf01056817 ◽

1986 ◽

Vol 38 (3) ◽

pp. 245-249

Author(s):

N. N. Bogolyubov ◽

A. K. Prikarpatskii

Keyword(s):

Lie Algebra ◽

Functional Equations ◽

Statistical Physics ◽

Quantum Method

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A Solvolysis Model for 2-Chloro-2-methyladamantane Based on the Linear Solvation Energy Approach

The Journal of Organic Chemistry ◽

10.1021/jo049798l ◽

2004 ◽

Vol 69 (25) ◽

pp. 8865-8873 ◽

Cited By ~ 9

Author(s):

Samuel P. McManus ◽

Sunil Somani ◽

J. Milton Harris ◽

R. Andrew McGill

Keyword(s):

Solvation Energy ◽

Energy Approach ◽

Linear Solvation Energy ◽

Linear Solvation

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