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1

Quantum simulations of aqueous systems

Peter J. Rossky, Jürgen Schnitker, Robert A. Kuharski

Journal:

Journal of Statistical Physics

Year:

1986

Language:

english

File:

PDF, 812 KB

english, 1986

2

Objective models for steroid binding sites of human globulins

Jurgen Schnitker, Ramesh Gopalaswamy, Gordon M. Crippen

Journal:

Journal of Computer-Aided Molecular Design

Year:

1997

Language:

english

File:

PDF, 166 KB

english, 1997

3

NMR Quadrupole Relaxation of Xenon-131 in Water

Schnitker, Jürgen, Geiger, Alfons

Journal:

Zeitschrift für Physikalische Chemie

Year:

1987

Language:

english

File:

PDF, 3.87 MB

english, 1987

4

Boundary Conditions in Simulations of Aqueous Ionic Solutions: A Systematic Study

Roberts, James E., Schnitker, Jurgen

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.30 MB

english, 1995

5

Melting of two-dimensional colloidal crystals: A simulation study of the Yukawa system

Naidoo, Kevin J., Schnitker, Jurgen

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 864 KB

english, 1994

6

Stress relaxation and misfit dislocation nucleation in the growth of misfitting films: A molecular dynamics simulation study

Dong, Liang, Schnitker, Jurgen, Smith, Richard W., Srolovitz, David J.

Journal:

Journal of Applied Physics

Year:

1998

Language:

english

File:

PDF, 5.72 MB

english, 1998

7

Two-dimensional melting revisited

Naidoo, Kevin J., Schnitker, Jurgen, Weeks, John D.

Journal:

Molecular Physics

Year:

1993

Language:

english

File:

PDF, 1.56 MB

english, 1993

8

Solvation dynamics of the hydrated electron: A nonadiabatic quantum simulation

Webster, Frank J., Schnitker, Jurgen, Friedrichs, Mark S., Friesner, Richard A., Rossky, Peter J.

Journal:

Physical Review Letters

Year:

1991

Language:

english

File:

PDF, 777 KB

english, 1991

9

Response to “Comment on ‘An electron-water pseudopotential for condensed phase simulation’ ” [J. Chem. Phys. 131, 037101 (2009)]

Schnitker, Jurgen, Rossky, Peter J.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 269 KB

english, 2009

10

How the unit cell surface charge distribution affects the energetics of ion–solvent interactions in simulations

Roberts, James E., Schnitker, Jurgen

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 921 KB

english, 1994

11

A priori calculation of the optical absorption spectrum of the hydrated electron

Schnitker, Jürgen, Motakabbir, Kazi, Rossky, Peter J., Friesner, Richard A.

Journal:

Physical Review Letters

Year:

1988

Language:

english

File:

PDF, 800 KB

english, 1988

12

The reaction field method in molecular dynamics simulations of point-polarizable water models

ROBERTS, JAMES E., WOODMAN, BRENT L., SCHNITKER, JURGEN

Journal:

Molecular Physics

Year:

1996

Language:

english

File:

PDF, 1.37 MB

english, 1996

13

The hydrated electron: quantum simulation of structure, spectroscopy, and dynamics

Rossky, Peter J., Schnitker, Jurgen

Journal:

Journal of Physical Chemistry

Year:

1988

Language:

english

File:

PDF, 1.26 MB

english, 1988

14

Ionic quadrupolar relaxation in aqueous solution: dynamics of the hydration sphere

Roberts, James E., Schnitker, Jurgen

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 967 KB

english, 1993

15

Misfit effects in adhesion calculations

Schnitker, Jurgen, Srolovitz, David J

Journal:

Modelling and Simulation in Materials Science and Engineering

Year:

1998

Language:

english

File:

PDF, 143 KB

english, 1998

16

Excess electron migration in liquid water

Schnitker, Jurgen, Rossky, Peter J.

Journal:

Journal of Physical Chemistry

Year:

1989

Language:

english

File:

PDF, 1.18 MB

english, 1989

17

Wirksamkeit und Verträglichkeit eines homöopathischen Komplexmittels (Sinusitis Hevert SL) bei akuter, unkomplizierter Rhinosinusitis: Eine multizentrische, randomisierte, doppelblinde, placebokontrollierte Studie an erwachsenen Patienten

Michalsen, Andreas, Palm, Jürgen, Samer, Holger, Wollmann, Jan-Christoph, Tausend, Sieglinde, Klein, Isabel, Schnitker, Jörg

Journal:

Complementary Medicine Research

Year:

2017

File:

PDF, 310 KB

2017