Margaret Mandziuk: search on Z-Library

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1

Ab Initio Calculations of Enthalpies of Hydrogenation, Isomerization, and Formation of Cyclic C 6 Hydrocarbons. Benzene Isomers

Li, Ziru, Rogers, Donald W., McLafferty, Frank J., Mandziuk, Margaret, Podosenin, Andrew V.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 58 KB

english, 1999

2

Nonlinear Resonance Artifacts in Molecular Dynamics Simulations

Tamar Schlick, Margaret Mandziuk, Robert D. Skeel, K. Srinivas

Journal:

Journal of Computational Physics

Year:

1998

Language:

english

File:

PDF, 398 KB

english, 1998

3

Resonance in the dynamics of chemical systems simulated by the implicit midpoint scheme

Margaret Mandziuk, Tamar Schlick

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 795 KB

english, 1995

4

Three-dimensional discrete variable representation for accurate Van der Waals vibrational states of complexes between atoms and large molecules, including fullerenes

Mandziuk, Margaret, Ba?i?, Zlatko

Journal:

Faraday Discussions

Year:

1994

Language:

english

File:

PDF, 1.22 MB

english, 1994

5

Hydrogen Delocalization in Cyclic Water Clusters

Mandziuk, Margaret

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 139 KB

english, 2004

6

BIOMOLECULAR DYNAMICS AT LONG TIMESTEPS:Bridging the Timescale Gap Between Simulation and Experimentation

Schlick, Tamar, Barth, Eric, Mandziuk, Margaret

Journal:

Annual Review of Biophysics and Biomolecular Structure

Year:

1997

Language:

english

File:

PDF, 421 KB

english, 1997

7

Intermolecular vibrations of o-xylene⋅Ar in the S0 and S1 states: Experiment and quantum three dimensional calculations

Droz, Thierry, Leutwyler, Samuel, Mandziuk, Margaret, Bačić, Zlatko

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 1.14 MB

english, 1994

8

van der Waals vibrations and isomers of 2,3-dimethylnaphthalene⋅Ne: Experiment and quantum three-dimensional calculations

Droz, Thierry, Leutwyler, Samuel, Mandziuk, Margaret, Bačić, Zlatko

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 697 KB

english, 1995

9

Intermolecular vibrations of the 2,3-dimethylnaphthalene⋅Ar van der Waals complex: Experiment and quantum three-dimensional calculations

Mandziuk, Margaret, Bačić, Zlatko, Droz, Thierry, Leutwyler, Samuel

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 1.07 MB

english, 1994

10

van der Waals vibrational states of atom–large molecule complexes by a 3D discrete variable representation method: Naphthalene⋅Ar

Mandziuk, Margaret, Bačić, Zlatko

Journal:

The Journal of Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.30 MB

english, 1993

11

Resonances in the photodissociation of HCl in the Ar–HCl van der Waals complex: How prominent are they?

Schröder, Thomas, Schinke, Reinhard, Mandziuk, Margaret, Bačić, Zlatko

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 1.20 MB

english, 1994

12

Quantum three-dimensional calculation of endohedral vibrational levels of atoms inside strongly nonspherical fullerenes: Ne@C70

Mandziuk, Margaret, Bačić, Zlatko

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 1.18 MB

english, 1994

13

Spectroscopy and quantum dynamics of the 1,2-dimethylnaphthalene⋅Ar van der Waals complex

Droz, Thierry, Leutwyler, Samuel, Mandziuk, Margaret, Bačić, Zlatko

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 547 KB

english, 1995

14

On the tunneling splitting in a cyclic water trimer

Mandziuk, Margaret

Journal:

Chemical Physics Letters

Year:

2016

Language:

english

File:

PDF, 961 KB

english, 2016

15

From the trimer, through the pentamer, to liquid water

Mandziuk, Margaret

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 5.40 MB

english, 2019

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