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1

Hand hygiene compliance in the critical care setting: A comparative study of 2 different alcohol handrub formulations

Marra, Alexandre R., Camargo, Thiago Zinsly S., Cardoso, Vanessa Jonas, Moura, Denis Faria, Casemiro de Andrade, Emerson, Wentzcovitch, Juliana, Santos da Rocha, Alex Sandro, Pavão dos Santos, Oscar F

Journal:

American Journal of Infection Control

Year:

2013

Language:

english

File:

PDF, 128 KB

english, 2013

2

Phase diagram and thermodynamic properties of solid magnesium in the quasiharmonic approximation

Althoff, J., Allen, P., Wentzcovitch, R., Moriarty, John

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 338 KB

english, 1993

3

Atomic and electronic structure of exfoliated black phosphorus

Wu, Ryan J., Topsakal, Mehmet, Low, Tony, Robbins, Matthew C., Haratipour, Nazila, Jeong, Jong Seok, Wentzcovitch, Renata M., Koester, Steven J., Mkhoyan, K. Andre

Journal:

Journal of Vacuum Science & Technology A Vacuum Surfaces and Films

Year:

2015

Language:

english

File:

PDF, 3.84 MB

english, 2015

4

Persistence of strong silica-enriched domains in the Earth’s lower mantle

Ballmer, Maxim D., Houser, Christine, Hernlund, John W., Wentzcovitch, Renata M., Hirose, Kei

Journal:

Nature Geoscience

Year:

2017

Language:

english

File:

PDF, 4.69 MB

english, 2017

5

EPAW-1.0 code for evolutionary optimization of PAW datasets especially for high-pressure applications

Sarkar, Kanchan, Holzwarth, N.A.W., Wentzcovitch, R.M.

Journal:

Computer Physics Communications

Year:

2018

Language:

english

File:

PDF, 2.74 MB

english, 2018

6

Experimental and theoretical equation of state of cubic boron nitride

Knittle, Elise, Wentzcovitch, Renata M., Jeanloz, Raymond, Cohen, Marvin L.

Journal:

Year:

1989

File:

PDF, 428 KB

1989

7

Spin-State Crossover of Iron in Lower-Mantle Minerals: Results of DFT+U Investigations

Hsu, H., Umemoto, K., Wu, Z., Wentzcovitch, R. M.

Journal:

Reviews in Mineralogy and Geochemistry

Year:

2010

Language:

english

File:

PDF, 1.21 MB

english, 2010

8

Carbon Allotrope

Umemoto, Koichiro, Wentzcovitch, Renata M., Saito, Susumu, Miyake, Takashi

Journal:

Physical Review Letters

Year:

2010

Language:

english

File:

PDF, 543 KB

english, 2010

9

Elastic Anomalies in a Spin-Crossover System: Ferropericlase at Lower Mantle Conditions

Wu, Zhongqing, Justo, João F., Wentzcovitch, Renata M.

Journal:

Physical Review Letters

Year:

2013

Language:

english

File:

PDF, 1.03 MB

english, 2013

10

Calculation of electronic and structural properties of

Tomanek, David, Wentzcovitch, Renata M., Louie, Steven G., Cohen, Marvin L.

Journal:

Physical Review B

Year:

1988

Language:

english

File:

PDF, 303 KB

english, 1988

11

First Principles Quasiharmonic Thermoelasticity of Mantle Minerals

Wentzcovitch, R. M., Wu, Z., Carrier, P.

Journal:

Reviews in Mineralogy and Geochemistry

Year:

2010

Language:

english

File:

PDF, 1.65 MB

english, 2010

12

Quasiharmonic elastic constants corrected for deviatoric thermal stresses

Carrier, Pierre, Justo, João F., Wentzcovitch, Renata M.

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 184 KB

english, 2008

13

Stability of carbon nitride solids

Liu, Amy Y., Wentzcovitch, Renata M.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 197 KB

english, 1994

14

Quasiharmonic thermal elasticity of crystals: An analytical approach

Wu, Zhongqing, Wentzcovitch, Renata M.

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 420 KB

english, 2011

15

Energy versus free-energy conservation in first-principles molecular dynamics

Wentzcovitch, Renata M., Martins, José Luís, Allen, Philip B.

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 162 KB

english, 1992

16

Anomalous thermodynamic properties in ferropericlase throughout its spin crossover

Wu, Z., Justo, J. F., da Silva, C. R. S., de Gironcoli, S., Wentzcovitch, R. M.

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 508 KB

english, 2009

17

Resistivity of the high-temperature metallic phase of

Allen, Philip B., Wentzcovitch, Renata M., Schulz, Werner W., Canfield, Paul C.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 213 KB

english, 1993

18

Band structure and electronic transport properties of the superconductor NbO

Schulz, W. W., Forro, L., Kendziora, C., Wentzcovitch, R., Mandrus, D., Mihaly, L., Allen, P. B.

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 217 KB

english, 1992

19

Ab initio study of graphite → diamondlike transitions in BN

Wentzcovitch, Renata M., Fahy, S., Cohen, Marvin L., Louie, Steven G.

Journal:

Physical Review B

Year:

1988

Language:

english

File:

PDF, 257 KB

english, 1988

20

Structural and electronic properties of WC

Liu, Amy Y., Wentzcovitch, Renata M., Cohen, Marvin L.

Journal:

Physical Review B

Year:

1988

Language:

english

File:

PDF, 424 KB

english, 1988

21

Mechanical instabilities in

Keskar, Nitin R., Chelikowsky, James R., Wentzcovitch, Renata M.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 523 KB

english, 1994

22

Theoretical model for the hcp-bcc transition in Mg

Wentzcovitch, Renata M., Cohen, Marvin L.

Journal:

Physical Review B

Year:

1988

Language:

english

File:

PDF, 672 KB

english, 1988

23

hcp-to-bcc pressure-induced transition in Mg simulated by ab initio molecular dynamics

Wentzcovitch, Renata M.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 185 KB

english, 1994

24

Investigation of electronic distribution in hexagonal BN by Compton scattering

Loupias, G., Wentzcovitch, R., Bellaïche, L., Moscovici, J., Rabii, S.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 266 KB

english, 1994

25

N

Liu, Amy Y., Wentzcovitch, Renata M., Cohen, Marvin L.

Journal:

Physical Review B

Year:

1989

Language:

english

File:

PDF, 334 KB

english, 1989

26

Electronic band structure and bonding in

Schulz, Werner W., Wentzcovitch, Renata M.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 372 KB

english, 1993

27

Theoretical study of BN, BP, and BAs at high pressures

Wentzcovitch, Renata M., Cohen, Marvin L., Lam, Pui K.

Journal:

Physical Review B

Year:

1987

Language:

english

File:

PDF, 654 KB

english, 1987

28

First-principles prediction of crystal structures at high temperatures using the quasiharmonic approximation

Carrier, Pierre, Wentzcovitch, Renata, Tsuchiya, Jun

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 228 KB

english, 2007

29

Simulating the amorphization of α-quartz under pressure

Binggeli, N., Chelikowsky, James R., Wentzcovitch, R. M.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 719 KB

english, 1994

30

Electronic and structural properties of BN and BP

Wentzcovitch, Renata M., Chang, K. J., Cohen, Marvin L.

Journal:

Physical Review B

Year:

1986

Language:

english

File:

PDF, 930 KB

english, 1986

31

Ab initio study of water speciation in forsterite: Importance of the entropic effect

Qin, Tian, Wentzcovitch, Renata M., Umemoto, Koichiro, Hirschmann, Marc M., Kohlstedt, David L.

Journal:

American Mineralogist

Year:

2018

Language:

english

File:

PDF, 1.89 MB

english, 2018

32

Corrigendum to “Iron isotopic fractionation in mineral phases from Earth's lower mantle: Did terrestrial magma ocean crystallization fractionate iron isotopes?” [Earth Planet. Sci. Lett. 506 (2019) 113–122]

Yang, Hong, Lin, Jung-Fu, Hu, Michael Y., Roskosz, Mathieu, Bi, Wenli, Zhao, Jiyong, Alp, Esen E., Liu, Jin, Liu, Jiachao, Wentzcovitch, Renata M., Okuchi, Takuo, Dauphas, Nicolas

Journal:

Earth and Planetary Science Letters

Year:

2019

Language:

english

File:

PDF, 128 KB

english, 2019

33

Velocity and density characteristics of subducted oceanic crust and the origin of lower-mantle heterogeneities

Wang, Wenzhong, Xu, Yinhan, Sun, Daoyuan, Ni, Sidao, Wentzcovitch, Renata, Wu, Zhongqing

Journal:

Nature Communications

Year:

2020

File:

PDF, 1.49 MB

2020

34

Author Correction: Velocity and density characteristics of subducted oceanic crust and the origin of lower-mantle heterogeneities

Wang, Wenzhong, Xu, Yinhan, Sun, Daoyuan, Ni, Sidao, Wentzcovitch, Renata, Wu, Zhongqing

Journal:

Nature Communications

Year:

2020

File:

PDF, 280 KB

2020

35

Discriminating lower mantle composition

Houser, C., Hernlund, J.W., Valencia-Cardona, J., Wentzcovitch, R.M.

Journal:

Physics of the Earth and Planetary Interiors

Year:

2020

File:

PDF, 642 KB

2020

36

σ-states contribution to the conductivity of BC3

Renata M. Wentzcovitch, Marvin L. Cohen, Steven G. Louie, David Tománek

Journal:

Solid State Communications

Year:

1988

Language:

english

File:

PDF, 271 KB

english, 1988

37

X1 and X3 states of electrons and phonons in zincblende type semiconductors

Renata M. Wentzcovitch, Manuel Cardona, Marvin L. Cohen, Niels E. Christensen

Journal:

Solid State Communications

Year:

1988

Language:

english

File:

PDF, 356 KB

english, 1988

38

First principles molecular dynamics of Li: Test of a new algorithm

Renata M. Wentzcovitch, JoséLuís Martins

Journal:

Solid State Communications

Year:

1991

Language:

english

File:

PDF, 462 KB

english, 1991

39

Electronic charge densities at valence and conduction band edges of ZnSe and CdTe

Renata M. Wentzcovitch, Steven L. Richardson, Marvin L. Cohen

Journal:

Physics Letters A

Year:

1986

Language:

english

File:

PDF, 288 KB

english, 1986

40

Comparative study of the density of states of graphite and BC3

Renata M. Wentzcovitch, Marvin L. Cohen, Steven G. Louie

Journal:

Physics Letters A

Year:

1988

Language:

english

File:

PDF, 234 KB

english, 1988

41

Electron-phonon interactions in copper-oxides

Ju H. Kim, K. Levin, R. Wentzcovitch, A. Auerbach

Journal:

Physica C: Superconductivity

Year:

1989

Language:

english

File:

PDF, 154 KB

english, 1989

42

Metadata management for distributed first principles calculations in VLab—A collaborative cyberinfrastructure for materials computation

Pedro R.C. da Silveira, Cesar R.S. da Silva, Renata M. Wentzcovitch

Journal:

Computer Physics Communications

Year:

2008

Language:

english

File:

PDF, 786 KB

english, 2008

43

Low ↔ high density transformations in ice

Koichiro Umemoto, Renata M. Wentzcovitch

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 228 KB

english, 2005

44

Order–disorder phase boundary between ice VII and VIII obtained by first principles

Koichiro Umemoto, Renata M. Wentzcovitch, Stefano de Gironcoli, Stefano Baroni

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 763 KB

english, 2010

45

A density functional study of sodalite: a new view on an old system

Kendall T Thomson, Renata M Wentzcovitch, Alon McCormick, H.T Davis

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 136 KB

english, 1998

46

Pressure induced high spin to low spin transition in magnesiowüstite

Taku Tsuchiya, Renata M. Wentzcovitch, Cesar R. S. da Silva, Stefano de Gironcoli, Jun Tsuchiya

Journal:

physica status solidi (b)

Year:

2006

Language:

english

File:

PDF, 340 KB

english, 2006

47

Electronic structure of Co1–xFexS2

Koichiro Umemoto, Renata M. Wentzcovitch, Lan Wang, Chris Leighton

Journal:

physica status solidi (b)

Year:

2006

Language:

english

File:

PDF, 305 KB

english, 2006

48

Theory of spintronic materials

James R. Chelikowsky, Efthimios Kaxiras, Renata M. Wentzcovitch

Journal:

physica status solidi (b)

Year:

2006

Language:

english

File:

PDF, 741 KB

english, 2006

49

High pressure studies of Mantle minerals byab initiovariable cell shape molecular dynamics

Renata M. Wentzcovitch, G. David Price

Journal:

Molecular Engineering

Year:

1996

Language:

english

File:

PDF, 1.38 MB

english, 1996

50

Ab initio study of MgSiO3C2/c enstatite

Renata M. Wentzcovitch, D. A. Hugh-Jones, R. J. Angel, G. D. Price

Journal:

Physics and Chemistry of Minerals

Year:

1995

Language:

english

File:

PDF, 852 KB

english, 1995

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