Rempe, Susan B: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

Don't use scam websites

1

A Computational Exercise Illustrating Molecular Vibrations and Normal Modes

SUSAN B. REMPE, HANNES JÓNSSON

Journal:

The Chemical Educator

Year:

1998

Language:

english

File:

PDF, 188 KB

english, 1998

2

Coordination numbers of alkali metal ions in aqueous solutions

Sameer Varma, Susan B. Rempe

Journal:

Biophysical Chemistry

Year:

2006

Language:

english

File:

PDF, 229 KB

english, 2006

3

Ab Initio Molecular Dynamics Study of Formate Ion Hydration

Leung, Kevin, Rempe, Susan B.

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 211 KB

english, 2004

4

Interactions and structure of poly(dimethylsiloxane) at silicon dioxide surfaces: Electronic structure and molecular dynamics studies

Tsige, Mesfin, Soddemann, Thomas, Rempe, Susan B., Grest, Gary S., Kress, Joel D., Robbins, Mark O., Sides, Scott W., Stevens, Mark J., Webb, Edmund

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 502 KB

english, 2003

5

First-principles modeling of chemistry in mixed solvents: Where to go from here?

Maldonado, Alex M., Basdogan, Yasemin, Berryman, Joshua T., Rempe, Susan B., Keith, John A.

Journal:

The Journal of Chemical Physics

Year:

2020

File:

PDF, 1.82 MB

2020

6

Editorial for special issue on ions

Susan Rempe, Benoit Roux

Journal:

Biophysical Chemistry

Year:

2006

Language:

english

File:

PDF, 50 KB

english, 2006

7

The national center for the design of biomimetic nanoconductors

Eric Jakobsson, Narayan Aluru, Hagan Bayley, Jeff Brinker, Scott Feller, Mark Humayun, David A. LaVan, Gerhard Klimeck, Kevin Leung, Michael McLennan, Steve Plimpton, Umberto Ravaioli, Susan Rempe, Be

Journal:

Nanomedicine: Nanotechnology, Biology and Medicine

Year:

2006

Language:

english

File:

PDF, 137 KB

english, 2006

8

The convergence properties of hindered rotor energy levels

Susan B. Rempe, R.O. Watts

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 641 KB

english, 1997

9

Hydration of krypton and consideration of clathrate models of hydrophobic effects from the perspective of quasi-chemical theory

Henry S. Ashbaugh, D. Asthagiri, Lawrence R. Pratt, Susan B. Rempe

Journal:

Biophysical Chemistry

Year:

2003

Language:

english

File:

PDF, 326 KB

english, 2003

10

The hydration number of Na+ in liquid water

Susan B. Rempe, Lawrence R. Pratt

Journal:

Fluid Phase Equilibria

Year:

2001

Language:

english

File:

PDF, 280 KB

english, 2001

11

An Information Theory Approach to Nonlinear, Nonequilibrium Thermodynamics

David M. Rogers, Thomas L. Beck, Susan B. Rempe

Journal:

Journal of Statistical Physics

Year:

2011

Language:

english

File:

PDF, 915 KB

english, 2011

12

Ab Initio Study of Hydrogen Storage in Water Clathrates

Clawson, Jacalyn S., Cygan, Randall T., Alam, Todd M., Leung, Kevin, Rempe, Susan B.

Journal:

Journal of Computational and Theoretical Nanoscience

Year:

2010

Language:

english

File:

PDF, 3.68 MB

english, 2010

13

Reply to “Comment on ‘Probing the Thermodynamics of Competitive Ion Binding Using Minimum Energy Structures’”

Rogers, David M., Rempe, Susan B.

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 160 KB

english, 2012

14

K+/Na+ Selectivity in K Channels and Valinomycin: Over-coordination Versus Cavity-size constraints

Sameer Varma, Dubravko Sabo, Susan B. Rempe

Journal:

Journal of Molecular Biology

Year:

2008

Language:

english

File:

PDF, 691 KB

english, 2008

15

Mechanism of Ion Recognition by Over-coordination: “The Caress of the Surroundings”[1]

Varma, Sameer, Rempe, Susan

Journal:

Biophysical Journal

Year:

2009

Language:

english

File:

PDF, 95 KB

english, 2009

16

Multibody Effects in Ion Binding and Selectivity

Varma, Sameer, Rempe, Susan B.

Journal:

Biophysical Journal

Year:

2010

Language:

english

File:

PDF, 338 KB

english, 2010

17

Membrane Modulation of KcsA Structural Dynamics and Ion Channel Function

Davis, Ryan W., Branda, Steven, Kozina, Carol L., Singh, Seema, Moczydlowski, Edward G., Rempe, Susan L.

Journal:

Biophysical Journal

Year:

2011

Language:

english

File:

PDF, 54 KB

english, 2011

18

Prediction of pKa Value of Zinc-Bound Water in Carbonic Anhydrase

Jiao, Dian, Rempe, Susan

Journal:

Biophysical Journal

Year:

2012

Language:

english

File:

PDF, 38 KB

english, 2012

19

Tuning Ion Coordination Architectures to Enable Selective Partitioning

Varma, Sameer, Rempe, Susan B.

Journal:

Biophysical Journal

Year:

2007

Language:

english

File:

PDF, 351 KB

english, 2007

20

Salt Permeation and Exclusion in Hydroxylated and Functionalized Silica Pores

Leung, Kevin, Rempe, Susan B., Lorenz, Christian D.

Journal:

Physical Review Letters

Year:

2006

Language:

english

File:

PDF, 281 KB

english, 2006

21

First Principles Calculations of Atomic Nickel Redox Potentials and Dimerization Free Energies: A Study of Metal Nanoparticle Growth

Jiao, Dian, Leung, Kevin, Rempe, Susan B., Nenoff, Tina M.

Journal:

Journal of Chemical Theory and Computation

Year:

2011

Language:

english

File:

PDF, 339 KB

english, 2011

22

Density Functional Theory and DFT+U Study of Transition Metal Porphines Adsorbed on Au(111) Surfaces and Effects of Applied Electric Fields

Leung, Kevin, Rempe, Susan B., Schultz, Peter A., Sproviero, Eduardo M., Batista, Victor S., Chandross, Michael E., Medforth, Craig J.

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 214 KB

english, 2006

23

Irreversible Thermodynamics

Rogers, David M, Rempe, Susan B

Journal:

Journal of Physics Conference Series

Year:

2012

Language:

english

File:

PDF, 684 KB

english, 2012

24

Combined Density Functional Theory (DFT) and Continuum Calculations of p K a in Carbonic Anhydrase

Jiao, Dian, Rempe, Susan B.

Journal:

Year:

2012

Language:

english

File:

PDF, 1.90 MB

english, 2012

25

Exploiting the Environmental Sensitivity of Fluorescent Proteins Allows Unambiguous Discrimination of Genetically Identical Labels

Davis, Ryan W., Jones, Howland D.T., Carles, Elizabeth L., Sinclair, Michael B., Rempe, Susan L.

Journal:

Biophysical Journal

Year:

2010

Language:

english

File:

PDF, 36 KB

english, 2010

26

The Role of Lipid Composition in the Fusion of Dengue Virus with Liposomes

Vernon, Briana C., Siegrist, Cathryn M., La Bauve, Sadie, Carson, Bryan, Ricken, Bryce, Rogers, David, Moczydlowski, Ed, Rempe, Susan, Davis, Ryan, Zheng, Aihua, Kielian, Margaret, Kent, Michael S.

Journal:

Biophysical Journal

Year:

2013

Language:

english

File:

PDF, 60 KB

english, 2013

27

Electrophysiology and Live Fluorescence Imaging to Monitor the Effects of Potassium Channel Blockade on Lipopolysaccharide-Induced Immune Signaling

Schiess, Adrian R. Boese, Carles, Elizabeth L., Murton, Jaclyn K., Carson, Bryan, Branda, Catherine, James, Conrad D., Rempe, Susan B.

Journal:

Biophysical Journal

Year:

2010

Language:

english

File:

PDF, 40 KB

english, 2010

28

Density Functional Studies of Rubidium Hydration to Probe the Analogy Between Rb+ and K+ in K Channels

Sabo, Dubravko, Jiao, Dian, Varma, Sameer, Pratt, Lawrence, Rempe, Susan

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 42 KB

english, 2014

29

Molecular Modeling of the Attachment of the Dengue II Envelope Protein into Host Endosomal Membranes

Rogers, David M., Kent, Michael S., Rempe, Susan B.

Journal:

Biophysical Journal

Year:

2013

Language:

english

File:

PDF, 38 KB

english, 2013

30

Role of Methyl-Induced Polarization in Ion Binding

Rossi, Mariana, Tkatchenko, Alexandre, Rempe, Susan B., Varma, Sameer

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 42 KB

english, 2014

31

Spatiotemporal pH Dynamics in Concentration Polarization near Ion-Selective Membranes

Andersen, Mathias B., Rogers, David M., Mai, Junyu, Schudel, Benjamin, Hatch, Anson V., Rempe, Susan B., Mani, Ali

Journal:

Year:

2014

Language:

english

File:

PDF, 524 KB

english, 2014

32

Theoretical Study of Aqueous Solvation of K + Comparing ab Initio, Polarizable, and Fixed-Charge Models

Whitfield, Troy W., Varma, Sameer, Harder, Edward, Lamoureux, Guillaume, Rempe, Susan B., Roux, Benoit

Journal:

Journal of Chemical Theory and Computation

Year:

2007

Language:

english

File:

PDF, 498 KB

english, 2007

33

Structural Transitions in Ion Coordination Driven by Changes in Competition for Ligand Binding

Varma, Sameer, Rempe, Susan B.

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 1019 KB

english, 2008

34

Probing the Thermodynamics of Competitive Ion Binding Using Minimum Energy Structures

Rogers, David M., Rempe, Susan B.

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 2.25 MB

english, 2011

35

Studies of the Thermodynamic Properties of Hydrogen Gas in Bulk Water

Sabo, Dubravko, Varma, Sameer, Martin, Marcus G., Rempe, Susan B.

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 109 KB

english, 2008

36

Hydration Structure and Free Energy of Biomolecularly Specific Aqueous Dications, Including Zn 2+ and First Transition Row Metals

Asthagiri, D., Pratt, Lawrence R., Paulaitis, Michael E., Rempe, Susan B.

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 75 KB

english, 2004

37

The Hydration Number of Li + in Liquid Water

Rempe, Susan B., Pratt, Lawrence R., Hummer, Gerhard, Kress, Joel D., Martin, Richard L., Redondo, Antonio

Journal:

Journal of the American Chemical Society

Year:

2000

Language:

english

File:

PDF, 42 KB

english, 2000

38

Inner shell definition and absolute hydration free energy of K+(aq) on the basis of quasi-chemical theory and ab initio molecular dynamicsPresented at the 81st International Bunsen Discussion Meeting on ?Interfacial Water in Chemistry and Biology?, Velen, Germany, September 19?23, 2003.

Rempe, Susan B., Asthagiri, D., Pratt, Lawrence R.

Journal:

Physical Chemistry Chemical Physics

Year:

2004

Language:

english

File:

PDF, 159 KB

english, 2004

39

On “the complete basis set limit” and plane-wave methods in first-principles simulations of water

Rempe, Susan B., Mattsson, Thomas R., Leung, K.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 879 KB

english, 2008

40

Ab initio rigid water: Effect on water structure, ion hydration, and thermodynamics

Leung, Kevin, Rempe, Susan B.

Journal:

Physical Chemistry Chemical Physics

Year:

2006

Language:

english

File:

PDF, 774 KB

english, 2006

41

Computing the 7Li NMR chemical shielding of hydrated Li+ using cluster calculations and time-averaged configurations from ab initio molecular dynamics simulations

Alam, Todd M., Hart, David, Rempe, Susan L. B.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.03 MB

english, 2011

42

Atomic Layer Deposition of l -Alanine Polypeptide

Fu, Yaqin, Li, Binsong, Jiang, Ying-Bing, Dunphy, Darren R., Tsai, Andy, Tam, Siu-Yue, Fan, Hongyou, Zhang, Hongxia, Rogers, David, Rempe, Susan, Atanassov, Plamen, Cecchi, Joseph L., Brinker, C. Jeff

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 513 KB

english, 2014

43

The exact quantum mechanical kinetic energy operator in internal coordinates for vibration of a hexatomic molecule

Rempe, Susan B., Watts, R. O.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 542 KB

english, 1998

44

Ab initio molecular dynamics study of glycine intramolecular proton transfer in water

Leung, Kevin, Rempe, Susan B.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 500 KB

english, 2005

45

Ab initio molecular dynamics calculations of ion hydration free energies

Leung, Kevin, Rempe, Susan B., von Lilienfeld, O. Anatole

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 902 KB

english, 2009

46

CO2 solvation free energy using quasi-chemical theory

Jiao, Dian, Rempe, Susan B.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 698 KB

english, 2011

47

A novel model for the simulation of chaos in low-flow-rate CSTR experiments with the Belousov-Zhabotinskii reaction: a chemical mechanism for two-frequency oscillations

Gyorgyi, Laszlo, Rempe, Susan L., Field, Richard J.

Journal:

Journal of Physical Chemistry

Year:

1991

Language:

english

File:

PDF, 930 KB

english, 1991

48

Hydration of Kr(aq) in Dilute and Concentrated Solutions

Chaudhari, Mangesh I., Sabo, Dubravko, Pratt, Lawrence R., Rempe, Susan B.

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 558 KB

english, 2015

49

A Molecular Basis for Advanced Materials in Water Treatment

Cygan, Randall T., Brinker, C. Jeffrey, Nyman, May D., Leung, Kevin, Rempe, Susan B.

Journal:

Year:

2008

Language:

english

File:

PDF, 589 KB

english, 2008

50

Molecular basis of endosomal-membrane association for the dengue virus envelope protein

Rogers, David M., Kent, Michael S., Rempe, Susan B.

Journal:

Biochimica et Biophysica Acta (BBA) - Biomembranes

Year:

2015

Language:

english

File:

PDF, 1.48 MB

english, 2015