Jeffrey B. Neaton: search on Z-Library

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1

Push it to the limit: Characterizing the convergence of common sequences of basis sets for intermolecular interactions as described by density functional theory

Witte, Jonathon, Neaton, Jeffrey B., Head-Gordon, Martin

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.12 MB

english, 2016

2

Enrichment of molecular antenna triplets amplifies upconverting nanoparticle emission

Garfield, David J., Borys, Nicholas J., Hamed, Samia M., Torquato, Nicole A., Tajon, Cheryl A., Tian, Bining, Shevitski, Brian, Barnard, Edward S., Suh, Yung Doug, Aloni, Shaul, Neaton, Jeffrey B., Ch

Journal:

Nature Photonics

Year:

2018

Language:

english

File:

PDF, 1.51 MB

english, 2018

3

Non-chemisorbed gold–sulfur binding prevails in self-assembled monolayers

Inkpen, Michael S., Liu, Zhen–Fei, Li, Haixing, Campos, Luis M., Neaton, Jeffrey B., Venkataraman, Latha

Journal:

Nature Chemistry

Year:

2019

File:

PDF, 1.37 MB

2019

4

Water Enables Efficient CO 2 Capture from Natural Gas Flue Emissions in an Oxidation-Resistant Diamine-Appended Metal–Organic Framework

Siegelman, Rebecca L., Milner, Phillip J, Forse, Alexander C., Lee, Jung-Hoon, Colwell, Kristen A., Neaton, Jeffrey B., Reimer, Jeffrey A., Weston, Simon C, Long, Jeffrey R.

Journal:

Journal of the American Chemical Society

Year:

2019

File:

PDF, 13.98 MB

2019

5

Characteristics of participants at baseline in the Treatment of Mild Hypertension Study (TOMHS)

Stephen R. Mascioli, Richard H. Grimm Jr., James D. Neaton, Jeremiah Stamler, Ronald J. Prineas, Jeffrey A. Cutler, Patricia J. Elmer, Robert McDonald, Harold Schnaper, James Schoenberger

Journal:

The American Journal of Cardiology

Year:

1990

Language:

english

File:

PDF, 510 KB

english, 1990

6

Thermopower of Amine−Gold-Linked Aromatic Molecular Junctions from First Principles

Quek, Su Ying, Choi, Hyoung Joon, Louie, Steven G., Neaton, Jeffrey B.

Journal:

Year:

2011

Language:

english

File:

PDF, 859 KB

english, 2011

7

Dehydrogenation of Ammonia on Ru(0001) by Electronic Excitations

Maier, Sabine, Stass, Ingeborg, Feng, Xiaofeng, Sisto, Aaron, Zayak, Alexey, Neaton, Jeffrey B., Salmeron, Miquel

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 2.82 MB

english, 2015

8

Defect-Induced Band-Edge Reconstruction of a Bismuth-Halide Double Perovskite for Visible-Light Absorption

Slavney, Adam H., Leppert, Linn, Bartesaghi, Davide, Gold-Parker, Aryeh, Toney, Michael F., Savenije, Tom J., Neaton, Jeffrey B., Karunadasa, Hemamala I.

Journal:

Journal of the American Chemical Society

Year:

2017

Language:

english

File:

PDF, 2.10 MB

english, 2017

9

Assessing DFT-D3 Damping Functions Across Widely Used Density Functionals: Can We Do Better?

Witte, Jonathon, Mardirossian, Narbe, Neaton, Jeffrey B., Head-Gordon, Martin

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 1.52 MB

english, 2017

10

Topological materials discovery using electron filling constraints

Chen, Ru, Po, Hoi Chun, Neaton, Jeffrey B., Vishwanath, Ashvin

Journal:

Year:

2017

Language:

english

File:

PDF, 817 KB

english, 2017

11

Low-lying excited states in crystalline perylene

Rangel, Tonatiuh, Rinn, Andre, Sharifzadeh, Sahar, da Jornada, Felipe H., Pick, André, Louie, Steven G., Witte, Gregor, Kronik, Leeor, Neaton, Jeffrey B., Chatterjee, Sangam

Journal:

Proceedings of the National Academy of Sciences

Year:

2017

Language:

english

File:

PDF, 968 KB

english, 2017

12

Detection of sub-MeV dark matter with three-dimensional Dirac materials

Hochberg, Yonit, Kahn, Yonatan, Lisanti, Mariangela, Zurek, Kathryn M., Grushin, Adolfo G., Ilan, Roni, Griffin, Sinéad M., Liu, Zhen-Fei, Weber, Sophie F., Neaton, Jeffrey B.

Journal:

Physical Review D

Year:

2018

Language:

english

File:

PDF, 1.25 MB

english, 2018

13

Layered Halide Double Perovskites: Dimensional Reduction of Cs 2 AgBiBr 6

Connor, Bridget A., Leppert, Linn, Smith, Matthew D, Neaton, Jeffrey B., Karunadasa, Hemamala I.

Journal:

Journal of the American Chemical Society

Year:

2018

Language:

english

File:

PDF, 4.07 MB

english, 2018

14

Bi-containing n-FeWO 4 Thin Films Provide the Largest Photovoltage and Highest Stability for a sub-2 eV Band Gap Photoanode

Zhou, Lan, Shinde, Aniketa, Suram, Santosh, Stein, Helge, Bauers, Sage, Zakutayev, Andriy, DuChene, Joseph S, Liu, Guiji, Peterson, Elizabeth, Neaton, Jeffrey B., Gregoire, John M.

Journal:

ACS Energy Letters

Year:

2018

Language:

english

File:

PDF, 709 KB

english, 2018

15

Tuning the bandgap of Cs 2 AgBiBr 6 through dilute tin alloying

Lindquist, Kurt P., Mack, Stephanie A., Slavney, Adam H., Leppert, Linn, Gold-Parker, Aryeh, Stebbins, Jonathan F., Salleo, Alberto, Toney, Michael F., Neaton, Jeffrey B., Karunadasa, Hemamala I.

Journal:

Chemical Science

Year:

2019

File:

PDF, 2.81 MB

2019

16

Searching for new ferroelectric materials using high-throughput databases: An experimental perspective on BiAlO3 and BiInO3

Acharya, Megha, Mack, Stephanie, Fernandez, Abel, Kim, Jieun, Wang, Huaiyu, Eriguchi, Kazutaka, Meyers, Derek, Gopalan, Venkatraman, Neaton, Jeffrey, Martin, Lane W.

Journal:

Chemistry of Materials

Year:

2020

File:

PDF, 1.52 MB

2020

17

From the interface energy to the solubility limit of aluminium in nickel from first-principles and Kinetic Monte Carlo calculations

Céline Hin, Joël Lépinoux, Jeffrey B. Neaton, Mildred Dresselhaus

Journal:

Materials Science and Engineering: B

Year:

2011

Language:

english

File:

PDF, 285 KB

english, 2011

18

First-principles studies of the electronic structure of cyclopentene on Si(001): density functional theory and GW calculations

Su Ying Quek, Jeffrey B. Neaton, Mark S. Hybertsen, Efthimios Kaxiras, Steven G. Louie

Journal:

physica status solidi (b)

Year:

2006

Language:

english

File:

PDF, 206 KB

english, 2006

19

Structure and electronic properties of cerium orthophosphate: Theory and experiment

Adelstein, Nicole, Mun, B., Ray, Hannah, Ross, Philip, Neaton, Jeffrey, De Jonghe, Lutgard

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 518 KB

english, 2011

20

Background and design of the new U.S. trial on diet and drug treatment of “mild” hypertension (TOMHS)

Jeremiah Stamler, Ronald J. Prineas, James D. Neaton, Richard H. Grimm, Robert H. McDonald, Harold W. Schnaper, James A. Schoenberger, Patricia J. Elmer, Jeffrey A. Cutler

Journal:

The American Journal of Cardiology

Year:

1987

Language:

english

File:

PDF, 1.00 MB

english, 1987

21

Electrocardiographic left ventricular hypertrophy and effects of antihypertensive drug therapy in hypertensive participants in the multiple risk factor intervention trial

Stephen MacMahon, Gary Collins, Pentti Rautaharju, Jeffrey Cutler, James Neaton, Ronald Prineas, Richard Crow, Jeremiah Stamler

Journal:

The American Journal of Cardiology

Year:

1989

Language:

english

File:

PDF, 1.09 MB

english, 1989

22

Reply

Jeffrey A. Cutler, James D. Neaton

Journal:

The American Journal of Cardiology

Year:

1985

Language:

english

File:

PDF, 192 KB

english, 1985

23

Flat branches and pressure amorphization

Morrel H Cohen, Jorge Íñiguez, Jeffrey B Neaton

Journal:

Journal of Non-Crystalline Solids

Year:

2002

Language:

english

File:

PDF, 277 KB

english, 2002

24

CO 2 Capture by Metal–Organic Frameworks with van der Waals Density Functionals

Poloni, Roberta, Smit, Berend, Neaton, Jeffrey B.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.96 MB

english, 2012

25

Band Gap and Edge Engineering via Ferroic Distortion and Anisotropic Strain: The Case of

Berger, Robert F., Fennie, Craig J., Neaton, Jeffrey B.

Journal:

Physical Review Letters

Year:

2011

Language:

english

File:

PDF, 785 KB

english, 2011

26

Prognostic value of exercise electrocardiogram in men at high risk of future coronary heart disease: Multiple risk factor intervention trial experience

Pentti M. Rautaharju, Ronald J. Prineas, William J. Eifler, Curt D. Furberg, James D. Neaton, Richard S. Crow, Jeremiah Stamler, Jeffrey A. Cutler

Journal:

Journal of the American College of Cardiology

Year:

1986

Language:

english

File:

PDF, 1015 KB

english, 1986

27

Coronary heart disease and all-causes mortality in the multiple risk factor intervention trial: Subgroup findings and comparisons with other trials

Jeffrey A. Cutler, James D. Neaton, Stephen B. Hulley, Lewis Kuller, Oglesby Paul, Jeremiah Stamler

Journal:

Preventive Medicine

Year:

1985

Language:

english

File:

PDF, 1.36 MB

english, 1985

28

Recruitment of participants for the Multiple Risk Factor Intervention Trial (MRFIT)

James D. Neaton, Richard H. Grimm Jr., Jeffrey A. Cutler

Journal:

Controlled Clinical Trials

Year:

1987

Language:

english

File:

PDF, 734 KB

english, 1987

29

Molecular adsorption on metal surfaces with van der Waals density functionals

Li, Guo, Tamblyn, Isaac, Cooper, Valentino R., Gao, Hong-Jun, Neaton, Jeffrey B.

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 359 KB

english, 2012

30

Relating Trends in First-Principles Electronic Structure and Open-Circuit Voltage in Organic Photovoltaics

Isaacs, Eric B., Sharifzadeh, Sahar, Ma, Biwu, Neaton, Jeffrey B.

Journal:

The Journal of Physical Chemistry Letters

Year:

2011

Language:

english

File:

PDF, 1.91 MB

english, 2011

31

The Mechanism of Carbon Dioxide Adsorption in an Alkylamine-Functionalized Metal–Organic Framework

Planas, Nora, Dzubak, Allison L., Poloni, Roberta, Lin, Li-Chiang, McManus, Alison, McDonald, Thomas M., Neaton, Jeffrey B., Long, Jeffrey R., Smit, Berend, Gagliardi, Laura

Journal:

Journal of the American Chemical Society

Year:

2013

Language:

english

File:

PDF, 259 KB

english, 2013

32

Quasiparticle Spectra from a Nonempirical Optimally Tuned Range-Separated Hybrid Density Functional

Refaely-Abramson, Sivan, Sharifzadeh, Sahar, Govind, Niranjan, Autschbach, Jochen, Neaton, Jeffrey B., Baer, Roi, Kronik, Leeor

Journal:

Physical Review Letters

Year:

2012

Language:

english

File:

PDF, 706 KB

english, 2012

33

Strain-Induced Band Gap Modification in Coherent Core/Shell Nanostructures

Yang, Shenyuan, Prendergast, David, Neaton, Jeffrey B.

Journal:

Year:

2010

Language:

english

File:

PDF, 3.88 MB

english, 2010

34

Synthesis, Characterization, and Theory of [9]-, [12]-, and [18]Cycloparaphenylene: Carbon Nanohoop Structures

Jasti, Ramesh, Bhattacharjee, Joydeep, Neaton, Jeffrey B., Bertozzi, Carolyn R.

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 259 KB

english, 2008

35

Low-Energy Charge-Transfer Excitons in Organic Solids from First-Principles: The Case of Pentacene

Sharifzadeh, Sahar, Darancet, Pierre, Kronik, Leeor, Neaton, Jeffrey B.

Journal:

The Journal of Physical Chemistry Letters

Year:

2013

Language:

english

File:

PDF, 2.16 MB

english, 2013

36

Transferable pair potentials for CdS and ZnS crystals

Grünwald, Michael, Zayak, Alexey, Neaton, Jeffrey B., Geissler, Phillip L., Rabani, Eran

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 598 KB

english, 2012

37

Simultaneous Determination of Conductance and Thermopower of Single Molecule Junctions

Widawsky, Jonathan R., Darancet, Pierre, Neaton, Jeffrey B., Venkataraman, Latha

Journal:

Year:

2012

Language:

english

File:

PDF, 1.28 MB

english, 2012

38

Erratum: Structure and electronic properties of cerium orthophosphate: Theory and experiment [Phys. Rev. B 83 , 205104 (2011)]

Adelstein, Nicole, Mun, B. Simon, Ray, Hannah L., Ross, Philip N., Neaton, Jeffrey B., De Jonghe, Lutgard C.

Journal:

Physical Review B

Year:

2012

File:

PDF, 89 KB

2012

39

Zigzag Inversion Domain Boundaries in Indium Zinc Oxide-Based Nanowires: Structure and Formation

Goldstein, Anna P., Andrews, Sean C., Berger, Robert F., Radmilovic, Velimir R., Neaton, Jeffrey B., Yang, Peidong

Journal:

Year:

2013

Language:

english

File:

PDF, 4.60 MB

english, 2013

40

Adsorption and Stability of π-Bonded Ethylene on GaP(110)

Ugeda, Miguel M., Yu, Min, Bradley, Aaron J., Doak, Peter, Liu, Wenjun, Moore, Gary F., Sharp, Ian D., Tilley, T. D., Neaton, Jeffrey B., Crommie, Michael F.

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 907 KB

english, 2013

41

Tuning Rectification in Single-Molecular Diodes

Batra, Arunabh, Darancet, Pierre, Chen, Qishui, Meisner, Jeffrey S., Widawsky, Jonathan R., Neaton, Jeffrey B., Nuckolls, Colin, Venkataraman, Latha

Journal:

Year:

2013

Language:

english

File:

PDF, 2.07 MB

english, 2013

42

Theory of Covalent Adsorbate Frontier Orbital Energies on Functionalized Light-Absorbing Semiconductor Surfaces

Yu, Min, Doak, Peter, Tamblyn, Isaac, Neaton, Jeffrey B.

Journal:

The Journal of Physical Chemistry Letters

Year:

2013

Language:

english

File:

PDF, 1.06 MB

english, 2013

43

Tunable Charge Transport in Single-Molecule Junctions via Electrolytic Gating

Capozzi, Brian, Chen, Qishui, Darancet, Pierre, Kotiuga, Michele, Buzzeo, Marisa, Neaton, Jeffrey B., Nuckolls, Colin, Venkataraman, Latha

Journal:

Year:

2014

Language:

english

File:

PDF, 1.41 MB

english, 2014

44

Computational design of low-band-gap double perovskites

Berger, Robert F., Neaton, Jeffrey B.

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 1.95 MB

english, 2012

45

Electronic level alignment at a metal-molecule interface from a short-range hybrid functional

Biller, Ariel, Tamblyn, Isaac, Neaton, Jeffrey B., Kronik, Leeor

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 484 KB

english, 2011

46

Gap renormalization of molecular crystals from density-functional theory

Refaely-Abramson, Sivan, Sharifzadeh, Sahar, Jain, Manish, Baer, Roi, Neaton, Jeffrey B., Kronik, Leeor

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 968 KB

english, 2013

47

Assessing electronic structure approaches for gas-ligand interactions in metal-organic frameworks: The CO2-benzene complex

Witte, Jonathon, Neaton, Jeffrey B., Head-Gordon, Martin

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.34 MB

english, 2014

48

Outer-valence Electron Spectra of Prototypical Aromatic Heterocycles from an Optimally Tuned Range-Separated Hybrid Functional

Egger, David A., Weissman, Shira, Refaely-Abramson, Sivan, Sharifzadeh, Sahar, Dauth, Matthias, Baer, Roi, Kümmel, Stephan, Neaton, Jeffrey B., Zojer, Egbert, Kronik, Leeor

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 4.44 MB

english, 2014

49

Quasiparticle and optical spectroscopy of the organic semiconductors pentacene and PTCDA from first principles

Sharifzadeh, Sahar, Biller, Ariel, Kronik, Leeor, Neaton, Jeffrey B.

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 759 KB

english, 2012

50

Molecular-Scale Quantum Dots from Carbon Nanotube Heterojunctions

Chandra, Bhupesh, Bhattacharjee, Joydeep, Purewal, Meninder, Son, Young-Woo, Wu, Yang, Huang, Mingyuan, Yan, Hugen, Heinz, Tony F., Kim, Philip, Neaton, Jeffrey B., Hone, James

Journal:

Year:

2009

Language:

english

File:

PDF, 1.06 MB

english, 2009

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