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Items: 1 to 50 of 104

1.

Squeezing All Elements in the Periodic Table: Electron Configuration and Electronegativity of the Atoms under Compression.

Rahm M, Cammi R, Ashcroft NW, Hoffmann R.

J Am Chem Soc. 2019 Jul 3;141(26):10253-10271. doi: 10.1021/jacs.9b02634. Epub 2019 Jun 18.

PMID:
31144505
2.

Reply to Martinez-Canales et al.: The structure(s) of lithium at low temperatures.

Elatresh SF, Cai W, Ashcroft NW, Hoffmann R, Deemyad S, Bonev SA.

Proc Natl Acad Sci U S A. 2017 Oct 17;114(42):E8810-E8811. doi: 10.1073/pnas.1714115114. Epub 2017 Oct 10. No abstract available.

3.

From Electrons and Nuclei to Assemblies of Correlated Atoms.

Ashcroft NW.

Angew Chem Int Ed Engl. 2017 Aug 14;56(34):10224-10227. doi: 10.1002/anie.201702671. Epub 2017 Jun 27.

PMID:
28654170
4.

Potential high-Tc superconducting lanthanum and yttrium hydrides at high pressure.

Liu H, Naumov II, Hoffmann R, Ashcroft NW, Hemley RJ.

Proc Natl Acad Sci U S A. 2017 Jul 3;114(27):6990-6995. doi: 10.1073/pnas.1704505114. Epub 2017 Jun 19.

5.

Ternary Gold Hydrides: Routes to Stable and Potentially Superconducting Compounds.

Rahm M, Hoffmann R, Ashcroft NW.

J Am Chem Soc. 2017 Jun 28;139(25):8740-8751. doi: 10.1021/jacs.7b04456. Epub 2017 Jun 19.

PMID:
28627173
6.

Evidence from Fermi surface analysis for the low-temperature structure of lithium.

Elatresh SF, Cai W, Ashcroft NW, Hoffmann R, Deemyad S, Bonev SA.

Proc Natl Acad Sci U S A. 2017 May 23;114(21):5389-5394. doi: 10.1073/pnas.1701994114. Epub 2017 May 10.

7.

Corrigendum: Atomic and Ionic Radii of Elements 1-96.

Rahm M, Hoffmann R, Ashcroft NW.

Chemistry. 2017 Mar 17;23(16):4017. doi: 10.1002/chem.201700610. Epub 2017 Mar 3. No abstract available.

PMID:
28318129
8.

Structural Diversity and Electron Confinement in Li4N: Potential for 0-D, 2-D, and 3-D Electrides.

Tsuji Y, Dasari PLVK, Elatresh SF, Hoffmann R, Ashcroft NW.

J Am Chem Soc. 2016 Oct 26;138(42):14108-14120. doi: 10.1021/jacs.6b09067. Epub 2016 Oct 12.

PMID:
27731636
9.

Atomic and Ionic Radii of Elements 1-96.

Rahm M, Hoffmann R, Ashcroft NW.

Chemistry. 2016 Oct 4;22(41):14625-32. doi: 10.1002/chem.201602949. Epub 2016 Aug 24. Erratum in: Chemistry. 2017 Mar 17;23 (16):4017.

PMID:
27554240
10.

Linearly Polymerized Benzene Arrays As Intermediates, Tracing Pathways to Carbon Nanothreads.

Chen B, Hoffmann R, Ashcroft NW, Badding J, Xu E, Crespi V.

J Am Chem Soc. 2015 Nov 18;137(45):14373-86. doi: 10.1021/jacs.5b09053. Epub 2015 Nov 9.

PMID:
26488180
11.

Li-Filled, B-Substituted Carbon Clathrates.

Zeng T, Hoffmann R, Nesper R, Ashcroft NW, Strobel TA, Proserpio DM.

J Am Chem Soc. 2015 Oct 7;137(39):12639-52. doi: 10.1021/jacs.5b07883. Epub 2015 Sep 25.

12.

Chemical bonding in hydrogen and lithium under pressure.

Naumov II, Hemley RJ, Hoffmann R, Ashcroft NW.

J Chem Phys. 2015 Aug 14;143(6):064702. doi: 10.1063/1.4928076.

PMID:
26277151
13.

Lithium hydroxide, LiOH, at elevated densities.

Hermann A, Ashcroft NW, Hoffmann R.

J Chem Phys. 2014 Jul 14;141(2):024505. doi: 10.1063/1.4886335.

PMID:
25028025
14.

Silicon monoxide at 1 atm and elevated pressures: crystalline or amorphous?

AlKaabi K, Prasad DL, Kroll P, Ashcroft NW, Hoffmann R.

J Am Chem Soc. 2014 Mar 5;136(9):3410-23. doi: 10.1021/ja409692c. Epub 2014 Feb 24.

PMID:
24495133
15.

Dielectric versus magnetic pairing mechanisms in high-temperature cuprate superconductors investigated using Raman scattering.

Mallett BP, Wolf T, Gilioli E, Licci F, Williams GV, Kaiser AB, Ashcroft NW, Suresh N, Tallon JL.

Phys Rev Lett. 2013 Dec 6;111(23):237001. Epub 2013 Dec 5.

PMID:
24476299
16.

Condensed astatine: monatomic and metallic.

Hermann A, Hoffmann R, Ashcroft NW.

Phys Rev Lett. 2013 Sep 13;111(11):116404. Epub 2013 Sep 12.

PMID:
24074111
17.

The unusual and the expected in the Si/C phase diagram.

Gao G, Ashcroft NW, Hoffmann R.

J Am Chem Soc. 2013 Aug 7;135(31):11651-6. doi: 10.1021/ja405359a. Epub 2013 Jul 24.

PMID:
23841481
18.

Binary compounds of boron and beryllium: a rich structural arena with space for predictions.

Hermann A, Ashcroft NW, Hoffmann R.

Chemistry. 2013 Mar 25;19(13):4184-97. doi: 10.1002/chem.201203890. Epub 2013 Feb 11.

PMID:
23401125
19.

From Wade-Mingos to Zintl-Klemm at 100 GPa: binary compounds of boron and lithium.

Hermann A, McSorley A, Ashcroft NW, Hoffmann R.

J Am Chem Soc. 2012 Nov 14;134(45):18606-18. doi: 10.1021/ja308492g. Epub 2012 Nov 2.

PMID:
23066852
20.

Two-dimensional CdSe nanosheets and their interaction with stabilizing ligands.

Wen XD, Hoffmann R, Ashcroft NW.

Adv Mater. 2013 Jan 11;25(2):261-6. doi: 10.1002/adma.201203184. Epub 2012 Oct 11.

PMID:
23055423
21.

Lithium amide (LiNH2) under pressure.

Prasad DL, Ashcroft NW, Hoffmann R.

J Phys Chem A. 2012 Oct 11;116(40):10027-36. doi: 10.1021/jp3078387. Epub 2012 Oct 2.

PMID:
22978817
22.

Making sense of boron-rich binary Be-B phases.

Hermann A, Ashcroft NW, Hoffmann R.

Inorg Chem. 2012 Aug 20;51(16):9066-75. doi: 10.1021/ic301215y. Epub 2012 Aug 8.

PMID:
22870917
23.

Graphane nanotubes.

Wen XD, Yang T, Hoffmann R, Ashcroft NW, Martin RL, Rudin SP, Zhu JX.

ACS Nano. 2012 Aug 28;6(8):7142-50. doi: 10.1021/nn302204b. Epub 2012 Jul 6.

PMID:
22747198
24.

WH(n) under pressure.

Zaleski-Ejgierd P, Labet V, Strobel TA, Hoffmann R, Ashcroft NW.

J Phys Condens Matter. 2012 Apr 18;24(15):155701. doi: 10.1088/0953-8984/24/15/155701. Epub 2012 Mar 15.

PMID:
22418444
25.
26.
27.

A fresh look at dense hydrogen under pressure. II. Chemical and physical models aiding our understanding of evolving H-H separations.

Labet V, Hoffmann R, Ashcroft NW.

J Chem Phys. 2012 Feb 21;136(7):074502. doi: 10.1063/1.3679736.

PMID:
22360243
28.

A fresh look at dense hydrogen under pressure. I. an introduction to the problem, and an index probing equalization of H-H distances.

Labet V, Gonzalez-Morelos P, Hoffmann R, Ashcroft NW.

J Chem Phys. 2012 Feb 21;136(7):074501. doi: 10.1063/1.3679662.

PMID:
22360242
29.

High pressure ices.

Hermann A, Ashcroft NW, Hoffmann R.

Proc Natl Acad Sci U S A. 2012 Jan 17;109(3):745-50. doi: 10.1073/pnas.1118694109. Epub 2011 Dec 29.

30.

High pressure stabilization and emergent forms of PbH4.

Zaleski-Ejgierd P, Hoffmann R, Ashcroft NW.

Phys Rev Lett. 2011 Jul 15;107(3):037002. Epub 2011 Jul 11. Erratum in: Phys Rev Lett. 2011 Jul 29;107(5):059902.

PMID:
21838394
31.

Benzene under high pressure: a story of molecular crystals transforming to saturated networks, with a possible intermediate metallic phase.

Wen XD, Hoffmann R, Ashcroft NW.

J Am Chem Soc. 2011 Jun 15;133(23):9023-35. doi: 10.1021/ja201786y. Epub 2011 May 20.

PMID:
21524117
32.

Segregation into layers: a general problem for structural instability under pressure, exemplified by SnH4.

Gonzalez-Morelos P, Hoffmann R, Ashcroft NW.

Chemphyschem. 2010 Oct 4;11(14):3105-12. doi: 10.1002/cphc.201000330.

PMID:
20718065
33.

Double-diamond NaAl via pressure: understanding structure through Jones zone activation.

Feng J, Hoffmann R, Ashcroft NW.

J Chem Phys. 2010 Mar 21;132(11):114106. doi: 10.1063/1.3328198.

PMID:
20331280
34.

A little bit of lithium does a lot for hydrogen.

Zurek E, Hoffmann R, Ashcroft NW, Oganov AR, Lyakhov AO.

Proc Natl Acad Sci U S A. 2009 Oct 20;106(42):17640-3. doi: 10.1073/pnas.0908262106. Epub 2009 Oct 5.

35.

Condensed-matter physics: Pressure for change in metals.

Ashcroft NW.

Nature. 2009 Mar 12;458(7235):158-9. doi: 10.1038/458158a. No abstract available.

PMID:
19279625
36.

Interstitial electronic localization.

Rousseau B, Ashcroft NW.

Phys Rev Lett. 2008 Jul 25;101(4):046407. Epub 2008 Jul 25.

PMID:
18764350
37.

Emergent reduction of electronic state dimensionality in dense ordered Li-Be alloys.

Feng J, Hennig RG, Ashcroft NW, Hoffmann R.

Nature. 2008 Jan 24;451(7177):445-8. doi: 10.1038/nature06442.

PMID:
18216850
38.

Diamond, diamond cells, and the structure of element 11.

Ashcroft NW.

Proc Natl Acad Sci U S A. 2008 Jan 8;105(1):5-6. doi: 10.1073/pnas.0710426105. Epub 2008 Jan 2. No abstract available.

39.

Theoretical indications of singular structural and electronic features of Laves-phase CaLi2 under pressure.

Feng J, Ashcroft NW, Hoffmann R.

Phys Rev Lett. 2007 Jun 15;98(24):247002. Epub 2007 Jun 11.

PMID:
17677984
40.

The chemical imagination at work in very tight places.

Grochala W, Hoffmann R, Feng J, Ashcroft NW.

Angew Chem Int Ed Engl. 2007;46(20):3620-42.

PMID:
17477335
41.

Structures and potential superconductivity in at high pressure: en route to "metallic hydrogen".

Feng J, Grochala W, Jaroń T, Hoffmann R, Bergara A, Ashcroft NW.

Phys Rev Lett. 2006 Jan 13;96(1):017006. Epub 2006 Jan 11. Erratum in: Phys Rev Lett. 2006 Sep 15;97(11):119901.

PMID:
16486503
42.

Observability of a projected new state of matter: a metallic superfluid.

Babaev E, Sudbø A, Ashcroft NW.

Phys Rev Lett. 2005 Sep 2;95(10):105301. Epub 2005 Sep 1.

PMID:
16196937
43.

A superconductor to superfluid phase transition in liquid metallic hydrogen.

Babaev E, Sudbø A, Ashcroft NW.

Nature. 2004 Oct 7;431(7009):666-8.

PMID:
15470422
44.

Hydrogen dominant metallic alloys: high temperature superconductors?

Ashcroft NW.

Phys Rev Lett. 2004 May 7;92(18):187002. Epub 2004 May 6.

PMID:
15169525
45.

Order in dense hydrogen at low temperatures.

Edwards B, Ashcroft NW.

Proc Natl Acad Sci U S A. 2004 Mar 23;101(12):4013-8. Epub 2004 Mar 17.

46.

Enhanced Friedel structure and proton pairing in dense solid hydrogen.

Nagao K, Bonev SA, Bergara A, Ashcroft NW.

Phys Rev Lett. 2003 Jan 24;90(3):035501. Epub 2003 Jan 23.

PMID:
12570501
47.

Superconductivity. Putting the squeeze on lithium.

Ashcroft NW.

Nature. 2002 Oct 10;419(6907):569, 571-2. No abstract available.

PMID:
12374959
48.

Low-energy linear structures in dense oxygen: implications for the epsilon phase.

Neaton JB, Ashcroft NW.

Phys Rev Lett. 2002 May 20;88(20):205503. Epub 2002 May 3.

PMID:
12005576
49.

Generalized density-functional theory: extended weighted density approaches.

Khein A, Ashcroft NW.

Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics. 1999 Sep;60(3):2875-86.

PMID:
11970093
50.

Structure and effective interactions in three-component hard sphere liquids.

König A, Ashcroft NW.

Phys Rev E Stat Nonlin Soft Matter Phys. 2001 Apr;63(4 Pt 1):041203. Epub 2001 Mar 29.

PMID:
11308831

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