Journal Articles

1. Y. Li; Y.-q. Liu; C. Ding; R. Saha; Z. Cui; S. Pan, Ng7Be2B5+: Binding of noble gas through both cationic beryllium and anionic boron centers, J. Comput. Chem., 2025, 46 (23), e70219. DOI: 10.1002/jcc.70219; First published 05 Sept 2025, [Q1, IF: 4.8]
   
2. V. Saha; A. P. Cheah; R. Saha; Y. Zhao; G. Biswas, APTES modified magnetite nanoparticles as a theranostic nanocarrier: a study of loading and sustained release of daunorubicin, Mater. Adv., (2025), 6, 6843-6855. DOI: 10.1039/d5ma00514k; First published 27 Aug 2025, [Q1, IF: 4.7]
   
3. R. Saha; P. K. Chattaraj, Hepta-coordinated vanadium stabilized alkaline earth dimers: a DFT study,  Phys. Chem. Chem. Phys., (2025) 27, 18504-18510. DOI: 10.1039/D5CP02658J; First published 29 Jul 2025, [Q2, IF: 2.9]
4. A. Dey, E. Naranjo, R. Saha, S. Zhang, M. N. Nair, T. D. Li, X. Chen, R. V. Ulijn, Water-Vapor Responsive Metallo-Peptide Nanofibers. Angew. Chem. Int. Ed. (2024) 63, e202409391. DOI: 10.1002/anie.202409391
5. R. Saha*, B. B. Skjelstad, S. Pan, “In Silico Design and Characterization of a New Molecular Electride: Li@Calix[3]Pyrrole”. Chem. Eur. J, (2024) 30, e202400448. DOI: 10.1002/chem.202400448
6. P. Das, R. Saha*, P. K. Chattaraj, “Metal-metal bonds with unusual oxidation states in early s-block elements: A computational perspective”, Polyhedron, (2023) 245, 116661. DOI: 10.1016/j.poly.2023.116661
7. R. Saha*, J. Pirillo, Y. Ide, Y. Inokuma, Y. Hijikata, “On The Geometry of Calix[3]pyrrole and The Formation of Calix[3]pyrrole·F- Complex in Solution”, Theor. Chem. Acc., (2023) 142, 50. DOI: 10.1007/s00214-023-02982-1
8. T. Ikai, S. Miyoshi, K. Oki, R. Saha, Y. Hijikata, E. Yashima, “Defect-Free Synthesis of a Fully π-Conjugated Helical Ladder Polymer and Resolution into a Pair of Enantiomeric Helical Ladders” Angew. Chem. Int. Ed., (2023) 62, e202301962, DOI:  10.1002/anie.202301962; Angew. Chem., (2023) 135, e202301962, DOI: 10.1002/ange.202301962
9. W. Zheng, K. Oki, R. Saha, Y. Hijikata, E. Yashima, T. Ikai, “One-Handed Helical Tubular Ladder Polymers for Chromatographic Enantioseparation”, Angew. Chem. Int. Ed., (2023) 62, e202218297, DOI: 10.1002/anie.202218297; Angew. Chem.,  (2023) 135, e202218297, DOI: 10.1002/ange.202218297
10. Y. Inaba, J. Yang, Y. Kakibayashi, T. Yoneda, Y. Ide, Y. Hijikata, J. Pirillo, R. Saha, J. L. Sessler, Y. Inokuma, “Chiral Calix[3]pyrrole Derivatives: Synthesis, Racemization Kinetics, and Ring Expansion to Calix[9]- and Calix[12]pyrrole Analogues” Angew. Chem. Int. Ed., (2023) 62, e202301460, DOI: 10.1002/anie.202301460, Angew. Chem., (2023) 135, e202301460, DOI: 10.1002/ange.202301460
11. K. Watanabe†, R. Saha†, Y. Inaba, Y. Manabe, T. Yoneda, Y. Ide, Y. Hijikata and Y. Inokuma, “Absorption spectra of calix[3]pyrrole analogs as probes for contracted macrocycles” J. Porphyr. Phthalocyanines, (2023) 27, 157-163. DOI: 10.1142/S1088424622500754 [† indicates equal authorship]
12. R. Saha,* P. Das, P. K. Chattaraj, “Molecular Electrides: An In Silico Perspective” ChemPhysChem, (2022) 23, e202200329. DOI: 10.1002/cphc.202200329
13. S. Chand, O. Alahmed, W. S. Baslyman, A. Dey, S. Qutub, R. Saha, Y. Hijikata, M. Alaamery, N. M. Khashab, “DNA-Mimicking Metal-Organic Frameworks with Accessible Adenine Faces for Complementary Base Pairing” JACS Au, (2022) 2, 623-630. DOI: 10.1021/jacsau.1c00516 (cover article)
14. S. Pan, G. Jana, R. Saha, L. Zhao, P. K. Chattaraj, “Intriguing structural, bonding and reactivity features in some beryllium containing complexes ” Phys. Chem. Chem. Phys., (2020) 22, 27476-27495. DOI: 10.1039/D0CP04912C (cover article)
15. S. Chand, A. Pal, R. Saha, P. Das, R. Sahoo, P. K. Chattaraj, M. C. Das, “Two Closely Related Zn(II)-MOFs for Their Large Difference in CO2 Uptake Capacities and Selective CO2 Sorption” Inorg. Chem., (2020) 59, 7056-7066. DOI: 10.1021/acs.inorgchem.0c00551
16. P. Das, R. Saha*, P. K. Chattaraj, “Encapsulation of Mg2 inside a C60 cage forms an electride” J. Comp. Chem., (2020) 41, 1645-1653. DOI: 10.1002/jcc.26207
17. R. Saha, S. Pan, P. K. Chattaraj, G. Merino, “Filling the Void: Controlled Donor-Acceptor Interaction Facilitates the Formation of an M-M Single Bond in the Zero Oxidation State of M (M = Zn, Cd, Hg)” Dalton Trans., (2020) 49, 1056-1064. DOI: 10.1039/C9DT04213J (This article is part of the themed collection: Dalton Transactions HOT Articles)
18. V. Sharma, D. De, R. Saha, P. K. Chattaraj, P. K. Bharadwaj, “Flexibility Induced Encapsulation of Ultrafine Palladium Nanoparticles into Organic Cages for Tsuji-Trost Allylation” ACS Appl. Mater. Interfaces, (2020) 12, 8539-8546. DOI: 10.1021/acsami.9b19480
19. M. Gupta, N. Chatterjee, D. De, R. Saha, P. K. Chattaraj, C. L. Olive, P. K. Bharadwaj, “Metal–Organic Frameworks of Cu(II) Constructed from Functionalized Ligands for High Capacity H2 and CO2 Gas Adsorption and Catalytic Studies” Inorg. Chem., (2020) 59, 1810-1822. DOI: 10.1021/acs.inorgchem.9b03012
20. R. Saha,* P. Das, P. K. Chattaraj, “A Complex Containing Four Magnesium Atoms and Two Mg–Mg Bonds Behaving as an Electride” Eur. J. Inorg. Chem., (2019) 38, 4105-4111. DOI: 10.1002/ejic.201900813
21. R. Saha, S. Pan, G. Merino, P. K. Chattaraj, “Unprecedented Bonding Situation in Viable E2(NHBMe)2 (E = Be, Mg; NHBMe = (HCNMe)2B) Complexes: Neutral E2 Forms a Single E-E Covalent Bond” Angew. Chem. Int. Ed., (2019) 58, 8372-8377, DOI: 10.1002/anie.201900992; Angew. Chem., (2019) 131, 8460-8465, DOI: 10.1002/ange.201900992
22. R. Saha, S. Pan, G. Merino, P. K. Chattaraj, “How Far Can One Push The Noble Gases Towards Bonding?: A Personal Account” Molecules, (2019) 24, 2933. DOI: 10.3390/molecules24162933
23. R. Saha, P. K. Chattaraj, “Activation of Small Molecules (H2, CO2, N2O, CH4, and C6H6) by a Porphyrinoid-Based Dimagnesium(I) Complex, an Electride” ACS Omega, (2018) 3, 17199–17211. DOI: 10.1021/acsomega.8b03006
24. R. Saha, S. Pan, P. K. Chattaraj, “Stabilization of Boron-Boron Triple Bonds by Mesoionic Carbenes.” ACS Omega, (2018), 3, 13720-13730. DOI: 10.1021/acsomega.8b02305
25. R. Saha, V. Sharma, D. De, P. K. Bharadwaj, P. K. Chattaraj, “A (T-P) Phase Diagram for the Adsorption/Desorption of Carbon Dioxide and Hydrogen in a Cu(II)-MOF” Polyhedron, (2018), 153, 254-260. DOI: 10.1016/j.poly.2018.07.048
26. R. Saha, B. Mandal, P. K. Chattaraj, “HNgBeF3 (Ng = Ar - Rn): Superhalogen Supported Noble Gas Insertion Compounds” Int. J. Quantum Chem., (2018) 118, e25499. DOI: 10.1002/qua.25499
27. S. Pan, S. Kar, R. Saha, E. Osorio, X. Zarate, L. Zhao, G. Merino, P. K. Chattaraj, “Boron Nanowheel with an Axle Containing Noble Gas Atoms: Viable Noble Gas bound MB10- Clusters (M = Nb, Ta)” Chem. Eur. J., (2017), 24, 3590–3598. DOI: 10.1002/chem.201705790 
28. V. Sharma, D. De, R. Saha, R. Das, P. K. Chattaraj, P. K. Bharadwaj, “A Cu(II)-MOF Capable of Fixing CO2 From Air and Showing High Capacity H2 and CO2 Adsorption” Chem. Commun., (2017), 53, 13371-13374. DOI: 10.1039/C7CC08315G
29. R. Saha, S. Pan, P. K. Chattaraj, “NgMCp+: Noble Gas Bound Half-Sandwich Complexes (Ng = He-Rn, M = Be-Ba, Cp = η5-C5H5)” J. Phys. Chem. A, (2017) 121, 3526–3539. DOI: 10.1021/acs.jpca.7b00389
30. R. Saha, S. Kar, S. Pan, G. Martínez-Guajardo, G. Merino, P. K. Chattaraj, “A Spinning Umbrella: Carbon Monoxide and Dinitrogen Bound MB12– Clusters (M = Co, Rh, Ir)” J. Phys. Chem. A, (2017) 121, 2971–2979. DOI: 10.1021/acs.jpca.6b12232
31. S. Pan, R. Saha, E. Osorio, P. K. Chattaraj, G. Frenking, G. Merino, “Ligand Supported E3 Clusters (E = Si - Sn)” Chem. Eur. J., (2017) 23, 7463–7473. DOI: 10.1002/chem.201700494 (Cover article and "Very important paper")
32. S. Pan, R. Saha, A. Gupta, P. K. Chattaraj, “Modeling of 1-D Nanowires and Analyzing Their Hydrogen and Noble Gas Binding Ability” J. Chem. Sci., (2017) 129, 849–858. DOI: 10.1007/s12039-017-1232-3
33. R. Saha, S. Pan, G. Frenking, P. K. Chattaraj, G. Merino, “The Strongest CO Binding and the Largest C-O Stretching Frequency” Phys. Chem. Chem. Phys., (2017) 19, 2286-2293. DOI: 10.1039/C6CP06824C
34. S. Pan, R. Saha, S. Mandal, P. K. Chattaraj, “σ-Aromatic cyclic M3+ (M = Cu, Ag, Au) clusters and their complexation with dimethyl imidazol-2-ylidene, pyridine, isoxazole, furan, noble gases and carbon monoxide” Phys. Chem. Chem. Phys., (2016) 18, 11661-11676. DOI: 10.1039/C5CP06282A
35. S. Pan, R. Saha, A. Kumar, A. Gupta, G. Merino, P. K. Chattaraj, “A Noble Interaction: An Assessment of Noble Gas Binding Ability of Metal Oxides (Metal = Cu, Ag, Au)” Int. J. Quantum Chem., (2016) 116, 1016–1024. DOI: 10.1002/qua.25121  (as cover article)
36. S. Pan, R. Saha, S. Mandal, S. Mondal, A. Gupta, H. M. Fernández, G. Merino, P. K. Chattaraj, “Selectivity in Gas Adsorption by Molecular Cucurbit[6]uril” J. Phys. Chem. C, (2016) 120, 13911–13921. DOI: 10.1021/acs.jpcc.6b02545
37. R. Saha, S. Pan, S. Mandal, M. Orozco, G. Merino, P. K. Chattaraj, “Noble gas supported B3+ cluster: formation of strong covalent noble gas–boron bonds” RSC Adv., (2016) 6, 78611-78620. DOI: 10.1039/C6RA16188J
38. G. Jana, R. Saha, S. Pan, A. Kumar, G. Merino, P. K. Chattaraj, “Noble Gas Binding Ability of Metal-bipyridine Monocationic Complexes (Metal = Cu, Ag, Au): A Computational Study” ChemistrySelect, (2016) 18, 5842-5849. DOI: 10.1002/slct.201601245
39. R. Saha, S. Pan, P. K. Chattaraj, “Statistical Significance of the Maximum Hardness Principle Applied to Some Selected Chemical Reactions” Molecules, (2016) 21, 1477. DOI: 10.3390/molecules21111477
40. S. Pan, R. Saha, P. K. Chattaraj, “Exploring the Nature of Silicon-Noble Gas Bonds in H3SiNgNSi and HSiNgNSi Compounds (Ng = Xe, Rn)” Int. J. Mol. Sci., (2015) 16, 6402. DOI: 10.3390/ijms16036402
41. R. Saha, S. Pan, P. K. Chattaraj, “A Comparative Study on the Noble Gas binding ability of BeX Clusters (X = SO4, CO3, O)” J. Phys. Chem. A, (2015) 119, 6746-6752. DOI: 10.1021/acs.jpca.5b03888
42. S. Pan, R. Saha, P. K. Chattaraj, “On the Stability of Noble Gas bound 1-Tris(pyrazolyl)borate Beryllium and Magnesium Complexes” New J. Chem., (2015) 39, 6778-6786. DOI: 10.1039/C5NJ00983A
43. S. Pan, A. Gupta, R. Saha, G. Merino, P. K. Chattaraj, “A Coupled-Cluster Study on the Noble Gas binding Ability of Metal Cyanides versus Metal Halides (Metal = Cu, Ag, Au)” J. Comp. Chem., (2015) 36, 2168-2176. DOI: 10.1002/jcc.24190

[* indicates article is published as one of the corresponding authors]

Book Chapters

1.  R. Saha “A Computational Survey on Superalkali and Superhalogen Assisted Noble Gas Compounds” in “Superhalogens and Superalkalis: Bonding, Reactivity, Dynamics and Applications” Eds. P. K. Chattaraj, A. K. Srivastava, CRC Press, Taylor & Francis Group, LLC, (2024) pp. 230-245; ISBN 9781032466231.
2. R. Saha, P. Das “Molecular Electrides: An Overview of Their Structure, Bonding and Reactivity” in “Atomic Clusters with Unusual Structure, Bonding and Reactivity” Eds. P. K. Chattaraj, G. Merino, S Pan, Elsevier, (2022) pp. 275-295. ISBN 9780128229439.
3. R. Saha, S. Pan and P. K. Chattaraj “Hydrogen Storage in All-metal and Non-metal Aromatic Clusters” in “Emerging Materials for Energy Conversion and Storage” Eds. K. Y. Cheong, G. Impellizzeri, M. A. Fraga, Elsevier, (2018) pp. 329-362. ISBN 9780128137949.

Others

1. R. Saha, P. K. Bharadwaj and P. K. Chattaraj, “How to Store Hydrogen, A Possible Future Fuel to Tackle The Energy Crisis And Environmental Pollution” Science Trends (2018) (https://sciencetrends.com/how-to-store-hydrogen-a-possible-future-fuel-to-tackle-the-energy-crisis-and-environmental-pollution/)