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1

Nature of Hydrogen Adsorption on Platinum in the Aqueous Phase

Yang, Guoju, Akhade, Sneha A., Chen, Xi, Liu, Yue, Lee, Mal-Soon, Glezakou, Vassiliki-Alexandra, Rousseau, Roger, Lercher, Johannes

Journal:

Angewandte Chemie International Edition

Year:

2018

Language:

english

File:

PDF, 1.89 MB

english, 2018

2

Use of earth observation in support of environmental impact assessments: prospects and trends

C Cartalis, H Feidas, M Glezakou, M Proedrou, N Chrysoulakis

Journal:

Environmental Science & Policy

Year:

2000

Language:

english

File:

PDF, 77 KB

english, 2000

3

Structural Rearrangement of Au–Pd Nanoparticles under Reaction Conditions: An ab Initio Molecular Dynamics Study

Xu, Cong-Qiao, Lee, Mal-Soon, Wang, Yang-Gang, Cantu, David C., Li, Jun, Glezakou, Vassiliki-Alexandra, Rousseau, Roger

Journal:

Year:

2017

Language:

english

File:

PDF, 1.31 MB

english, 2017

4

Atomic Origins of Self-healing Function in Cement-polymer Composites

Nguyen, Manh-Thuong, Wang, Zheming, Rod, Kenton A., Childers, Matthew Ian, Fernandez, Carlos A, Koech, Phillip K, Bennett, Wendy D., Rousseau, Roger, Glezakou, Vassiliki-Alexandra

Journal:

ACS Applied Materials & Interfaces

Year:

2017

Language:

english

File:

PDF, 1.68 MB

english, 2017

5

Impact of pH on Aqueous-Phase Phenol Hydrogenation Catalyzed by Carbon-Supported Pt and Rh

Singh, Nirala, Lee, Mal Soon, Akhade, Sneha A, Cheng, Guanhua, Camaioni, Donald M., Gutiérrez, Oliver Y., Glezakou, Vassiliki-Alexandra, Rousseau, Roger, Lercher, Johannes A., Campbell, Charles T.

Journal:

Year:

2018

Language:

english

File:

PDF, 400 KB

english, 2018

6

Polymer-cement composites with adhesion and re-adhesion (healing) to casing capability for geothermal wellbore applications

Rod, Kenton A., Fernandez, Carlos A., Nguyen, Manh-Thuong, Gardiner, James B., Huerta, Nicolas J., Glezakou, Vassiliki-Alexandra, Varga, Tamas, Rousseau, Roger, Koech, Phillip K.

Journal:

Cement and Concrete Composites

Year:

2020

File:

PDF, 1.59 MB

2020

7

Theoretical insights into the surface physics and chemistry of redox-active oxides

Rousseau, Roger, Glezakou, Vassiliki-Alexandra, Selloni, Annabella

Journal:

Nature Reviews Materials

Year:

2020

File:

PDF, 3.95 MB

2020

8

Author Correction: Theoretical insights into the surface physics and chemistry of redox-active oxides

Rousseau, Roger, Glezakou, Vassiliki-Alexandra, Selloni, Annabella

Journal:

Nature Reviews Materials

Year:

2020

File:

PDF, 309 KB

2020

9

Properties of polyvinylchloride in solution: an hydrodynamic and vibrational spectroscopy study

Vassiliki-Alexandra Glezakou, Maria Soutzidou, Christos Loukoutos, Ioannis Xexakis, Kyriakos G. Viras

Journal:

Journal of Polymer Science Part B: Polymer Physics

Year:

1999

Language:

english

File:

PDF, 149 KB

english, 1999

10

Water reactivity in the liquid and supercritical CO2 phase: Has half the story been neglected?

B.P. McGrail, H.T. Schaef, V.-A. Glezakou, L.X. Dang, A.T. Owen

Journal:

Energy Procedia

Year:

2009

Language:

english

File:

PDF, 1.06 MB

english, 2009

11

Electronic structure, statistical mechanical simulations, and EXAFS spectroscopy of aqueous potassium

Vassiliki-Alexandra Glezakou, Yongsheng Chen, John L. Fulton, Gregory K. Schenter, Liem X. Dang

Journal:

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

Year:

2006

Language:

english

File:

PDF, 352 KB

english, 2006

12

Acid/base equilibria in clusters and their role in proton exchange membranes: computational insight

Glezakou, Vassiliki-Alexandra, Dupuis, Michel, Mundy, Christopher J.

Journal:

Physical Chemistry Chemical Physics

Year:

2007

Language:

english

File:

PDF, 520 KB

english, 2007

13

Structure, dynamics and vibrational spectrum of supercritical CO2/H2O mixtures from ab initio molecular dynamics as a function of water cluster formation

Glezakou, Vassiliki-Alexandra, Rousseau, Roger, Dang, Liem X., McGrail, B. Peter

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.66 MB

english, 2010

14

The Role of Ir in Ternary Rh-Based Catalysts for Syngas Conversion to C2+Oxygenates

Glezakou, Vassiliki-Alexandra, Jaffe, John E., Rousseau, Roger, Mei, Donghai, Kathmann, Shawn M., Albrecht, Karl O., Gray, Michel J., Gerber, Mark A.

Journal:

Topics in Catalysis

Year:

2012

Language:

english

File:

PDF, 535 KB

english, 2012

15

A theoretical study of the geometrical structure and energy inversion barriers of the cyanopnictogens NC-XY2 (X = N or P; Y = H, F, Cl or Br)

V.A. Glezakou, S.T. Kapellos, A. Mavridis

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1994

Language:

english

File:

PDF, 1.03 MB

english, 1994

16

Ethanol synthesis from syngas over Rh-based/SiO2 catalysts: A combined experimental and theoretical modeling study

Donghai Mei, Roger Rousseau, Shawn M. Kathmann, Vassiliki-Alexandra Glezakou, Mark H. Engelhard, Weilin Jiang, Chongmin Wang, Mark A. Gerber, James F. White, Don J. Stevens

Journal:

Journal of Catalysis

Year:

2010

Language:

english

File:

PDF, 1.64 MB

english, 2010

17

Molecular interactions of SO2 with carbonate minerals under co-sequestration conditions: A combined experimental and theoretical study

Vassiliki-Alexandra Glezakou, B. Peter McGrail, H. Todd Schaef

Journal:

Geochimica et Cosmochimica Acta

Year:

2012

Language:

english

File:

PDF, 1.01 MB

english, 2012

18

Intraabdominal desmoplastic small round cell tumor: Report of a case and literature review

Katerina Koniari, Helen Mahera, Marinos Nikolaou, Odysseas Chatzis, Ourania Glezakou, Vasilios Magiasis, Georgios Kiratzis

Journal:

International Journal of Surgery Case Reports

Year:

2011

Language:

english

File:

PDF, 1015 KB

english, 2011

19

Comparative Investigation of Benzene Steam Reforming over Spinel Supported Rh and Ir Catalysts

Mei, Donghai, Lebarbier, Vanessa M., Rousseau, Roger, Glezakou, Vassiliki-Alexandra, Albrecht, Karl O., Kovarik, Libor, Flake, Matt, Dagle, Robert A.

Journal:

Year:

2013

Language:

english

File:

PDF, 1.37 MB

english, 2013

20

Low-Frequency Raman Spectroscopy of n- Alcohols. LAM Vibration and Crystal Structure

Soutzidou, Maria, Glezakou, Vassiliki-Alexandra, Viras, Kyriakos, Helliwell, Madeleine, Masters, Andrew J., Vincent, Mark A.

Journal:

Journal of Physical Chemistry B

Year:

2002

Language:

english

File:

PDF, 96 KB

english, 2002

21

Molecular Simulation Analysis and X-ray Absorption Measurement of Ca 2+ , K + and Cl - Ions in Solution

Dang, Liem X., Schenter, Gregory K., Glezakou, Vassiliki-Alexandra, Fulton, John L.

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 466 KB

english, 2006

22

The Role of Reducible Oxide–Metal Cluster Charge Transfer in Catalytic Processes: New Insights on the Catalytic Mechanism of CO Oxidation on Au/TiO 2 from ab Initio Molecular Dynamics

Wang, Yang-Gang, Yoon, Yeohoon, Glezakou, Vassiliki-Alexandra, Li, Jun, Rousseau, Roger

Journal:

Journal of the American Chemical Society

Year:

2013

Language:

english

File:

PDF, 3.23 MB

english, 2013

23

Highly active and stable MgAl2O4-supported Rh and Ir catalysts for methane steam reforming: A combined experimental and theoretical study

Mei, Donghai, Glezakou, Vassiliki-Alexandra, Lebarbier, Vanessa, Kovarik, Libor, Wan, Haiying, Albrecht, Karl O., Gerber, Mark, Rousseau, Roger, Dagle, Robert A.

Journal:

Journal of Catalysis

Year:

2014

Language:

english

File:

PDF, 2.65 MB

english, 2014

24

Microstructural Response of Variably Hydrated Ca-rich Montmorillonite to Supercritical CO 2

Lee, Mal-Soon, McGrail, B. Peter, Glezakou, Vassiliki-Alexandra

Journal:

Environmental Science & Technology

Year:

2014

Language:

english

File:

PDF, 3.49 MB

english, 2014

25

Spontaneous Activation of CO 2 and Possible Corrosion Pathways on the Low-Index Iron Surface Fe(100)

Glezakou, Vassiliki-Alexandra, Dang, Liem X., McGrail, B. Peter

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 1011 KB

english, 2009

26

Formation Mechanism of the Secondary Building Unit in a Chromium Terephthalate Metal–Organic Framework

Cantu, David C., McGrail, B. Peter, Glezakou, Vassiliki-Alexandra

Journal:

Chemistry of Materials

Year:

2014

Language:

english

File:

PDF, 2.18 MB

english, 2014

27

Structure and Dynamics of CO 2 on Rutile TiO 2 (110)-1×1

Lin, Xiao, Yoon, Yeohoon, Petrik, Nikolay G., Li, Zhenjun, Wang, Zhi-Tao, Glezakou, Vassiliki-Alexandra, Kay, Bruce D., Lyubinetsky, Igor, Kimmel, Greg A., Rousseau, Roger, Dohnálek, Zdenek

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 2.21 MB

english, 2012

28

Dimerization Induced Deprotonation of Water on RuO 2 (110)

Mu, Rentao, Cantu, David C., Lin, Xiao, Glezakou, Vassiliki-Alexandra, Wang, Zhitao, Lyubinetsky, Igor, Rousseau, Roger, Dohnálek, Zdenek

Journal:

The Journal of Physical Chemistry Letters

Year:

2014

Language:

english

File:

PDF, 2.50 MB

english, 2014

29

Structure, Bonding, and Heats of Formation of Silatitanacyclobutanes

Glezakou, Vassiliki-Alexandra, Gordon, Mark S.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 155 KB

english, 1997

30

Structure and Thermodynamics of Carbon and Carbon/Silicon Precursors to Nanostructures

Glezakou, Vassiliki-Alexandra, Boatz, Jerry A., Gordon, Mark S.

Journal:

Journal of the American Chemical Society

Year:

2002

Language:

english

File:

PDF, 371 KB

english, 2002

31

Cluster-Models for Uranyl(VI) Adsorption on α-Alumina

Glezakou, Vassiliki-Alexandra, deJong, Wibe A.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.62 MB

english, 2011

32

Analysis of Bonding Patterns in the Valence Isoelectronic Series O 3 , S 3 , SO 2 , and OS 2 in Terms of Oriented Quasi-Atomic Molecular Orbitals †

Glezakou, Vassiliki-Alexandra, Elbert, Stephen T., Xantheas, Sotiris S., Ruedenberg, Klaus

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 2.10 MB

english, 2010

33

Surface Condensation of CO 2 onto Kaolinite

Schaef, H. T., Glezakou, V.-A., Owen, A. T., Ramprasad, S., Martin, P. F., McGrail, B. P.

Journal:

Environmental Science & Technology Letters

Year:

2014

Language:

english

File:

PDF, 925 KB

english, 2014

34

Systematic location of intersecting seams of conical intersection in triatomic molecules: The 1 [sup 2]A[sup ʹ]–2 [sup 2]A[sup ʹ] conical intersections in BH[sub 2]

Gordon, Mark S., Glezakou, Vassiliki-Alexandra, Yarkony, David R.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 320 KB

english, 1998

35

Impact of Nonadiabatic Charge Transfer on the Rate of Redox Chemistry of Carbon Oxides on Rutile TiO 2 (110) Surface

Yoon, Yeohoon, Wang, Yang-Gang, Rousseau, Roger, Glezakou, Vassiliki-Alexandra

Journal:

Year:

2015

Language:

english

File:

PDF, 1.65 MB

english, 2015

36

Dynamic formation of single-atom catalytic active sites on ceria-supported gold nanoparticles

Wang, Yang-Gang, Mei, Donghai, Glezakou, Vassiliki-Alexandra, Li, Jun, Rousseau, Roger

Journal:

Nature Communications

Year:

2015

Language:

english

File:

PDF, 958 KB

english, 2015

37

Competitive sorption of CO2 and H2O in 2:1 layer phyllosilicates

Schaef, Herbert T., Loring, John S., Glezakou, Vassiliki-Alexandra, Miller, Quin R.S., Chen, Jeffrey, Owen, Antoinette T., Lee, Mal-Soon, Ilton, Eugene S., Felmy, Andrew R., McGrail, B. Pete, Thompson

Journal:

Geochimica et Cosmochimica Acta

Year:

2015

Language:

english

File:

PDF, 527 KB

english, 2015

38

Use of Solvatochromism to Assay Preferential Solvation of a Prototypic Catalytic Site

Schwenzer, Birgit, Cosimbescu, Lelia, Glezakou, Vassiliki-Alexandra, Karkamkar, Abhijeet J., Wang, Zheming, Weber, Robert S.

Journal:

Topics in Catalysis

Year:

2015

Language:

english

File:

PDF, 1.21 MB

english, 2015

39

CO2 Utilization and Storage in Shale Gas Reservoirs: Experimental Results and Economic Impacts

Schaef, H. Todd, Davidson, Casie L., Owen, A. Toni, Miller, Quin R.S., Loring, John S., Thompson, Christopher J., Bacon, Diana H., Glezakou, Vanda A., McGrail, B. Pete

Journal:

Energy Procedia

Year:

2014

Language:

english

File:

PDF, 4.53 MB

english, 2014

40

Electronic Structure of the Ground and Low-Lying Excited States of TiP

Glezakou, V.-A., Mavridis, Aristides, Harrison, James F.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 512 KB

english, 1996

41

Experimental Study of Organic Ligand Transport in Supercritical CO2 Fluids and Impacts to Silicate Reactivity

Miller, Quin R.S., Kaszuba, John P., Schaef, H. Todd, Thompson, Chris J., Qiu, Lin, Bowden, Mark E., Glezakou, Vanda A., McGrail, B. Pete

Journal:

Energy Procedia

Year:

2014

Language:

english

File:

PDF, 821 KB

english, 2014

42

Deprotonated Water Dimers: The Building Blocks of Segmented Water Chains on Rutile RuO 2 (110)

Mu, Rentao, Cantu, David C., Glezakou, Vassiliki-Alexandra, Lyubinetsky, Igor, Rousseau, Roger, Dohnálek, Zdenek

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 3.80 MB

english, 2015

43

Steam reforming of hydrocarbons from biomass-derived syngas over MgAl2O4-supported transition metals and bimetallic IrNi catalysts

Dagle, Vanessa Lebarbier, Dagle, Robert, Kovarik, Libor, Genc, Arda, Wang, Yang-Gang, Bowden, Mark, Wan, Haiying, Flake, Matthew, Glezakou, Vassiliki-Alexandra, King, David L., Rousseau, Roger

Journal:

Applied Catalysis B: Environmental

Year:

2016

Language:

english

File:

PDF, 2.06 MB

english, 2016

44

Dynamic Acid/Base Equilibrium in Single Component Switchable Ionic Liquids and Consequences on Viscosity.

Cantu, David C., Lee, Juntaek, Lee, Mal-Soon, Heldebrant, David J., Koech, Phillip K, Freeman, Charles J., Rousseau, Roger, Glezakou, Vassiliki-Alexandra

Journal:

The Journal of Physical Chemistry Letters

Year:

2016

Language:

english

File:

PDF, 1.07 MB

english, 2016

45

Anharmonicity and Confinement in Zeolites: Structure, Spectroscopy, and Adsorption Free Energy of Ethanol in H-ZSM-5

Alexopoulos, Konstantinos, Lee, Mal-Soon, Liu, Yue, Zhi, Yuchun, Liu, Yuanshuai, Reyniers, Marie-Françoise, Marin, Guy B., Glezakou, Vassiliki-Alexandra, Rousseau, Roger, Lercher, Johannes A.

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 3.12 MB

english, 2016

46

Evaluating Transformational Solvent Systems for Post-combustion CO2 Separations

Heldebrant, David J., Glezakou, Vanssiliki-Alexandra, Koech, Phillip K., Mathias, Paul, Cantu, David, Rousseau, Roger, Malhotra, Deepika, Bhakta, Mukund, Bearden, Mark D., Freeman, Charles J., Zheng,

Journal:

Energy Procedia

Year:

2014

Language:

english

File:

PDF, 1.03 MB

english, 2014

47

Light Makes a Surface Banana-Bond Split: Photodesorption of Molecular Hydrogen from RuO 2 (110)

Henderson, Michael A., Mu, Rentao, Dahal, Arjun, Lyubinetsky, Igor, Dohnálek, Zdenek, Glezakou, Vassiliki-Alexandra, Rousseau, Roger

Journal:

Journal of the American Chemical Society

Year:

2016

Language:

english

File:

PDF, 1.79 MB

english, 2016

48

CO Oxidation on Au/TiO2: condition- dependent active sites and mechanistic pathways

Wang, Yang-Gang, Cantu, David C., Lee, Mal-Soon, Li, Jun, Glezakou, Vassiliki-Alexandra, Rousseau, Roger

Journal:

Journal of the American Chemical Society

Year:

2016

Language:

english

File:

PDF, 974 KB

english, 2016

49

On the electron affinity of B2

Glezakou, Vassiliki-Alexandra, Taylor, Peter

Journal:

European Journal of Mass Spectrometry

Year:

2009

Language:

english

File:

PDF, 361 KB

english, 2009

50

Structure-Property Reduced Order Model for Viscosity Prediction in Single-Component CO2-Binding Organic Liquids

Cantu, David C., Malhotra, Deepika, Koech, Phillip, Heldebrant, David J, Zheng, Feng (Richard), Freeman, Charles, Rousseau, Roger, Glezakou, Vassiliki-Alexandra

Journal:

Green Chemistry

Year:

2016

Language:

english

File:

PDF, 1.17 MB

english, 2016