van Duin ACT - Search Results

1

Gao Z, Zhu J, Rajabpour S, Joshi K, Kowalik M, Croom B, Schwab Y, Zhang L, Bumgardner C, Brown KR, Burden D, Klett JW, van Duin ACT, Zhigilei LV, Li X. Gao Z, et al. Among authors: van duin act. Sci Adv. 2020 Apr 24;6(17):eaaz4191. doi: 10.1126/sciadv.aaz4191. eCollection 2020 Apr. Sci Adv. 2020. PMID: 32494642 Free PMC article.

2

Effect of formic acid addition on water cluster stability and structure.

Goken EG, Joshi KL, Russo MF Jr, van Duin AC, Castleman AW Jr. Goken EG, et al. J Phys Chem A. 2011 May 12;115(18):4657-64. doi: 10.1021/jp1110746. Epub 2011 Apr 20. J Phys Chem A. 2011. PMID: 21506568

3

Can amorphization take place in nanoscale interconnects?

Kumar S, Joshi KL, van Duin AC, Haque MA. Kumar S, et al. Nanotechnology. 2012 Mar 9;23(9):095701. doi: 10.1088/0957-4484/23/9/095701. Epub 2012 Feb 10. Nanotechnology. 2012. PMID: 22322399

4

ReaxFF molecular dynamics simulation of thermal stability of a Cu3(BTC)2 metal-organic framework.

Huang L, Joshi KL, van Duin AC, Bandosz TJ, Gubbins KE. Huang L, et al. Phys Chem Chem Phys. 2012 Aug 28;14(32):11327-32. doi: 10.1039/c2cp41511a. Epub 2012 Jul 13. Phys Chem Chem Phys. 2012. PMID: 22796865

5

Reactive adsorption of ammonia and ammonia/water on CuBTC metal-organic framework: a ReaxFF molecular dynamics simulation.

Huang L, Bandosz T, Joshi KL, van Duin AC, Gubbins KE. Huang L, et al. J Chem Phys. 2013 Jan 21;138(3):034102. doi: 10.1063/1.4774332. J Chem Phys. 2013. PMID: 23343263

6

Reactive molecular simulations of protonation of water clusters and depletion of acidity in H-ZSM-5 zeolite.

Joshi KL, Psofogiannakis G, van Duin AC, Raman S. Joshi KL, et al. Phys Chem Chem Phys. 2014 Sep 14;16(34):18433-41. doi: 10.1039/c4cp02612h. Phys Chem Chem Phys. 2014. PMID: 25070603

7

Atomistic Scale Analysis of the Carbonization Process for C/H/O/N-Based Polymers with the ReaxFF Reactive Force Field.

Kowalik M, Ashraf C, Damirchi B, Akbarian D, Rajabpour S, van Duin ACT. Kowalik M, et al. Among authors: van duin act. J Phys Chem B. 2019 Jun 27;123(25):5357-5367. doi: 10.1021/acs.jpcb.9b04298. Epub 2019 Jun 13. J Phys Chem B. 2019. PMID: 31145615

8

Unveiling Carbon Ring Structure Formation Mechanisms in Polyacrylonitrile-Derived Carbon Fibers.

Zhu J, Gao Z, Kowalik M, Joshi K, Ashraf CM, Arefev MI, Schwab Y, Bumgardner C, Brown K, Burden DE, Zhang L, Klett JW, Zhigilei LV, van Duin ACT, Li X. Zhu J, et al. Among authors: van duin act. ACS Appl Mater Interfaces. 2019 Nov 13;11(45):42288-42297. doi: 10.1021/acsami.9b15833. Epub 2019 Nov 1. ACS Appl Mater Interfaces. 2019. PMID: 31657889

9

Atomistic Mechanisms of Thermal Transformation in a Zr-Metal Organic Framework, MIL-140C.

Dwivedi S, Kowalik M, Rosenbach N, Alqarni DS, Shin YK, Yang Y, Mauro JC, Tanksale A, Chaffee AL, van Duin ACT. Dwivedi S, et al. Among authors: van duin act. J Phys Chem Lett. 2021 Jan 14;12(1):177-184. doi: 10.1021/acs.jpclett.0c02930. Epub 2020 Dec 15. J Phys Chem Lett. 2021. PMID: 33321037

10

Tunable 2D Group-III Metal Alloys.

Rajabpour S, Vera A, He W, Katz BN, Koch RJ, Lassaunière M, Chen X, Li C, Nisi K, El-Sherif H, Wetherington MT, Dong C, Bostwick A, Jozwiak C, van Duin ACT, Bassim N, Zhu J, Wang GC, Wurstbauer U, Rotenberg E, Crespi V, Quek SY, Robinson JA. Rajabpour S, et al. Among authors: van duin act. Adv Mater. 2021 Nov;33(44):e2104265. doi: 10.1002/adma.202104265. Epub 2021 Sep 4. Adv Mater. 2021. PMID: 34480500

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

239 results

Search Page