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1

A reexamination of virial coefficients of the Lennard-Jones fluid

Kippi M. Dyer, John S. Perkyns, B. Montgomery Pettitt

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2001

Language:

english

File:

PDF, 163 KB

english, 2001

2

Computationally useful bridge diagram series for the structure and thermodynamics of Lennard-Jones fluids

John Perkyns, B. Montgomery Pettitt

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1997

Language:

english

File:

PDF, 593 KB

english, 1997

3

Angular aspects of electron correlation and the Coulomb hole. II. The 2 1S and the 2 3S excited states of helium

Ugalde, J. M., Boyd, Russell J., Perkyns, John S.

Journal:

The Journal of Chemical Physics

Year:

1987

Language:

english

File:

PDF, 544 KB

english, 1987

4

Structure and dynamics of α-MSH using DRISM integral equation theory and stochastic dynamics

Ninad V. Prabhu, John S. Perkyns, B. Montgomery Pettitt, Victor J. Hruby

Journal:

Year:

1999

Language:

english

File:

PDF, 257 KB

english, 1999

5

Kirkwood–Buff Thermodynamics Derived from Grand Canonical Molecular Dynamics and DRISM Calculations

Gillian C Lynch, John S Perkyns, B.Montgomery Pettitt

Journal:

Journal of Computational Physics

Year:

1999

Language:

english

File:

PDF, 68 KB

english, 1999

6

Integral equation approaches to structure and thermodynamics of aqueous salt solutions

John Perkyns, B. Montgomery Pettitt

Journal:

Biophysical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.55 MB

english, 1994

7

Comparison of the potentials of mean force for alanine tetrapeptide between integral equation theory and simulation

Ninad V. Prabhu, John S. Perkyns, Herb D. Blatt, Paul E. Smith, B.Montgomery Pettitt

Journal:

Biophysical Chemistry

Year:

1999

Language:

english

File:

PDF, 314 KB

english, 1999

8

Computationally useful bridge diagram series for the structure and thermodynamics of Lennard-Jones fluids

John Perkyns, B. Montgomery Pettit

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1998

Language:

english

File:

PDF, 110 KB

english, 1998

9

Protein solvation from theory and simulation: Exact treatment of Coulomb interactions in three-dimensional theories

Perkyns, John S., Lynch, Gillian C., Howard, Jesse J., Pettitt, B. Montgomery

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.21 MB

english, 2010

10

The Behavior of Ions near a Charged Wall—Dependence on Ion Size, Concentration, and Surface Charge.

Howard, Jesse J., Perkyns, John S., Pettitt, B. Montgomery

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 2.13 MB

english, 2010

11

A site–site theory for finite concentration saline solutions

Perkyns, John, Pettitt, B. Montgomery

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 979 KB

english, 1992

12

Computationally useful bridge diagram series. II. Diagrams in h-bonds

Perkyns, John S., Dyer, Kippi M., Pettitt, B. Montgomery

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 350 KB

english, 2002

13

Integral Equation Study of the Hydrophobic Interaction between Graphene Plates

Howard, Jesse J., Perkyns, John S., Choudhury, Niharendu, Pettitt, B. Montgomery

Journal:

Journal of Chemical Theory and Computation

Year:

2008

Language:

english

File:

PDF, 258 KB

english, 2008

14

Investigations into the common ion effect

Valdeavella, C. V., Perkyns, John S., Pettitt, B. Montgomery

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 1.03 MB

english, 1994

15

Salting in Peptides: Conformationally Dependent Solubilities and Phase Behavior of a Tripeptide Zwitterion in Electrolyte Solution

Perkyns, John S., Wang, Yiyang, Pettitt, B. Montgomery

Journal:

Journal of the American Chemical Society

Year:

1996

Language:

english

File:

PDF, 261 KB

english, 1996

16

Salt effects in peptide solutions: theory and simulations

Marlow, Gail E., Perkyns, John S., Pettitt, B. Montgomery.

Journal:

Chemical Reviews

Year:

1993

Language:

english

File:

PDF, 3.50 MB

english, 1993

17

Statistical Thermodynamic Approach to the Chemical Activities in Two-Component Solutions

Rösgen, Jörg, Pettitt, B. Montgomery, Perkyns, John, Bolen, David Wayne

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 104 KB

english, 2004

18

Solvation and cavity occupation in biomolecules

Lynch, Gillian C., Perkyns, John S., Nguyen, Bao Linh, Pettitt, B. Montgomery

Journal:

Biochimica et Biophysica Acta (BBA) - General Subjects

Year:

2015

Language:

english

File:

PDF, 1.22 MB

english, 2015

19

Conformations of simple disulfides and L -cystine

Boyd, Russell J., Perkyns, John S., Ramani, R.

Journal:

Canadian Journal of Chemistry

Year:

1983

Language:

english

File:

PDF, 225 KB

english, 1983

20

Simple bond length dependence: A correspondence between reactive fluid theories

Dyer, Kippi M., Perkyns, John S., Pettitt, B. M.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 266 KB

english, 2005

21

Effective density terms in proper integral equations

Dyer, Kippi M., Perkyns, John S., Pettitt, B. Montgomery

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 364 KB

english, 2005

22

Computationally useful bridge diagram series. III. Lennard-Jones mixtures

Dyer, Kippi, Perkyns, John, Pettitt, B. Montgomery

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 361 KB

english, 2002

23

Site-renormalised molecular fluid theory: on the utility of a two-site model of water

Dyer, Kippi M., Perkyns, John S., Stell, George, Montgomery Pettitt, B.

Journal:

Molecular Physics

Year:

2009

Language:

english

File:

PDF, 167 KB

english, 2009

24

Solubility Limits in Lennard-Jones Mixtures: Effects of Disparate Molecule Geometries

Dyer, Kippi M., Perkyns, John S., Pettitt, B. Montgomery

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 370 KB

english, 2015

25

A site-renormalized molecular fluid theory

Dyer, Kippi M., Perkyns, John S., Pettitt, B. Montgomery

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 811 KB

english, 2007

26

Peptide Conformations are Restricted by Solution Stability

Perkyns, John S., Pettitt, B. Montgomery

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 247 KB

english, 1995

27

Dependence of Hydration Free Energy on Solute Size

Perkyns, John, Pettitt, B. Montgomery

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 572 KB

english, 1996

28

A molecular site-site integral equation that yields the dielectric constant

Dyer, Kippi M., Perkyns, John S., Stell, George, Pettitt, B. Montgomery

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 383 KB

english, 2008

29

Erratum: A site–site theory for finite concentration saline solutions [J. Chem. Phys. 97, 7656 (1992)]

Perkyns, John, Montgomery Pettitt, B.

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 366 KB

english, 1994

30

On the Solubility of Aqueous Electrolytes

Perkyns, John, Pettitt, B. Montgomery

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.16 MB

english, 1994

31

Dielectric behavior for saline solutions from renormalized diagrammatically proper interaction site model theory

Dyer, Kippi M, Perkyns, John S, Pettitt, B Montgomery

Journal:

Journal of Physics Condensed Matter

Year:

2016

Language:

english

File:

PDF, 607 KB

english, 2016