Publications

1. A photoelectron spectroscopy and ab initio study of the structures and chemical bonding of the B25− cluster

ZA Piazza, IA Popov, W-L Li, R Pal, XC Zeng, AI Boldyrev, L-S Wang

The Journal of chemical physics 141, 034303

2. Isomerism and Structural Fluxionality in the Au26 and Au26-Nanoclusters

B Schaefer, R Pal, NS Khetrapal, M Amsler, A Sadeghi, V Blum, XC Zeng, S Goedecker, L-S Wang

ACS Nano 8 (7), 7413-7422

3. Mechanistic Insights into Carbonyl-Directed Rhodium-Catalyzed Hydroboration: ab Initio Study of a Cyclic γ,δ-Unsaturated Amide

Z Yang, R Pal, GL Hoang, XC Zeng, JM Takacs

ACS Catalysis 4 (3), 763-773

4. S0-State Model of the Oxygen-Evolving Complex of Photosystem II

R Pal, CFA Negre, L Vogt, R Pokhrel, MZ Ertem, GW Brudvig, VS Batista

Biochemistry 52 (44), 7703-7706

5. Spectral tuning in halorhodopsin: the chloride pump photoreceptor

R Pal, S Sekharan, VS Batista

Journal of the American Chemical Society 135 (26), 9624-9627

6. Interlocked catenane-like structure predicted in Au24 (SR) 20: Implication to structural evolution of thiolated gold clusters from homoleptic gold (I) thiolates to core-stacked nanoparticles

Y Pei, R Pal, C Liu, Y Gao, Z Zhang, XC Zeng

Journal of the American Chemical Society 134 (6), 3015-3024

7. Unraveling the mechanisms of O2 activation by size-selected gold clusters: transition from superoxo to peroxo chemisorption

R Pal, LM Wang, Y Pei, L-S Wang, XC Zeng

Journal of the American Chemical Society 134 (22), 9438-9445

8. γ-Selective directed catalytic asymmetric hydroboration of 1, 1-disubstituted alkenes

SM Smith, GL Hoang, R Pal, MOB Khaled, LSW Pelter, XC Zeng, JM Takacs

Chemical Communications 48 (100), 12180-12182

9. Chemisorption-Induced 2D–3D–2D Structural Transitions in Gold Heptamer:(CO) n Au7–(n= 1–4)

R Pal, W Huang, YL Wang, HS Hu, S Bulusu, XG Xiong, J Li, L-S Wang, XC Zeng

The Journal of Physical Chemistry Letters 2 (18), 2288-2293

10. Structure evolution of gold cluster anions between the planar and cage structures by isoelectronic substitution: Aun−(n= 13–15) and MAun−(n= 12–14; M= Ag, Cu)

R Pal, LM Wang, W Huang, L-S Wang, XC Zeng

The Journal of chemical physics 134 (5), 054306-054306-7

11. Observation of earlier two-to-three dimensional structural transition in gold cluster anions by isoelectronic substitution: MAun−(n= 8–11; M= Ag, Cu)

LM Wang, R Pal, W Huang, XC Zeng, L-S Wang

The Journal of chemical physics 132, 114306

12. Isomer identification and resolution in small gold clusters

W Huang, R Pal, LM Wang, XC Zeng, L-S Wang

The Journal of chemical physics 132, 054305

13. Structural transition of gold nanoclusters: from the golden cage to the golden pyramid

W Huang, S Bulusu, R Pal, XC Zeng, L-S Wang

ACS nano 3 (5), 1225-1230

14. Tuning the electronic properties of the golden buckyball by endohedral doping: M@Au16− (M= Ag, Zn, In)

LM Wang, R Pal, W Huang, XC Zeng, L-S Wang

The Journal of chemical physics 130, 051101

15. Structural Evolution of Doped Gold Clusters: MAux− (M= Si, Ge, Sn; x= 5− 8)

R Pal, LM Wang, W Huang, L-S Wang, XC Zeng

Journal of the American Chemical Society 131 (9), 3396-3404

16. CO chemisorption on the surfaces of the golden cages

W Huang, S Bulusu, R Pal, XC Zeng, L-S Wang

The Journal of chemical physics 131, 234305

17. Probing the electronic and structural properties of doped aluminum clusters: MAl12− (M= Li, Cu, and Au)

R Pal, LF Cui, S Bulusu, HJ Zhai, L-S Wang, XC Zeng

The Journal of chemical physics 128, 024305

18. Doping the Golden Cage Au16− with Si, Ge, and Sn

LM Wang, S Bulusu, W Huang, R Pal, L-S Wang, XC Zeng

Journal of the American Chemical Society 129 (49), 15136-15137

19. Exploring the lowest-energy structures of group IV tetra-aurides: XAu4 (X= C, Si, Ge, Sn)

R Pal, S Bulusu, XC Zeng

Journal of Computational Methods in Science and Engineering 7 (3), 185-193

20. Synthesis and reactivity of azobenzene-based bispropargyl sulfones: Interesting comparison between cyclic and acyclic systems

D Mitra, M Kar, R Pal, A Basak

Bioorganic & medicinal chemistry letters 17 (16), 4514-4517