Journal Publications 

Google Scholar Profile

1. 1. R. Gupta, S. Singha and D. Mani, Cooperativity between Intermolecular Hydrogen and Carbon Bonds in ZY···CH3CN/CH3NC···HX Trimers (ZY = H2O, H2S, HF, HCl, HBr, NH3, and H2CO; HX = HF, HCl, and HBr), J. Phys. Chem. A, accepted (2024).

   2. D. Mani, T. K. Roy, J. Khatri, G. Schwaab, S. Blach, C. Hölzl, H. Forbert, D. Marx, M. Havenith, Internal Electric Field-Induced Formation of Exotic Linear-Acetonitrile Chains, J. Phys. Chem. Lett. 13 (29), 6852–6858 (2022). 

(This work appeared on the supplementary cover of the journal)

1. 3. G. Schwaab, R.P. de Tudela, D. Mani, N. Pal, T. K. Roy, F. Gabas, R. Conte, L. D. Caballero, M. Ceotto, D. Marx, M. Havenith, Zwitter Ionization of Glycine at Outer Space Conditions due to Microhydration by Six Water Molecules, Phys. Rev. Lett. 128, 033001 (2022).

   4. T. K. Roy, D. Mani, G. Schwaab, M. Havenith, Infrared Spectroscopic Study of Trifluoromethoxybenzene⋯Methanol Complexes Formed in Superfluid Helium Nanodroplets, Phys. Chem. Chem. Phys. 23, 25180 (2021).

Prior to IIT Kanpur

1. 5. T. K. Roy, D. Mani, G. Schwaab, M. Havenith, A close competition between O-H⋯O and O-H⋯π hydrogen bonding: IR spectroscopy of anisole-methanol complex in helium nanodroplets, Phys. Chem. Chem. Phys. 22, 22408 (2020).

   6. R. Schwan, C. Qu, D. Mani, N. Pal, G. Schwaab, J. Bowman, G. S. Tschumper, M. Havenith, Observation of the low frequency spectrum of water trimer as a sensitive test of the water dimer potential and dipole moment surfaces, Angew. Chem. Int. Ed. 59, 11399 (2020).

(This work appeared on the front cover of the journal and was also selected as a hot article.)

1. 7. A. C. Legon, D. G. Lister, H.H. Holloway, D. Mani and E. Arunan, Isolation of a halogen-bonded complex formed between methane and chlorine monofluoride and characterization by rotational spectroscopy and ab intio calculations, Molecules, 24, 4257 (2019).

   8. R. Schwan, C. Qu, D. Mani, N. Pal, G. Schwaab, A. F. G. van der Meer, B. Redlich, C. LeForestier, J. Bowman, M. Havenith, Observation of the low frequency spectrum of water dimer as a sensitive test of the water dimer potential and dipole moment surfaces, Angew. Chem. Int. Ed. 58, 13119 (2019).

   9. D. Mani, R.P. de Tudela, R. Schwan, N. Pal, S. Körning, H. Forbert, B. Redlich, A. F. G. van der Meer, G. Schwaab, D. Marx, M. Havenith, Acid solvation versus dissociation at “stardust conditions”: Reaction sequence matters!, Science Advances, 5 (6): eaav8179 (2019).

(This work was highlighted by various international media outlets such as Phys.org, Scitech Daily, Science Daily, Eurek Alert,   Space Daily etc.)

1. 10. D. Mani, N. Pal, M. Smialkowski, C. Beakovic, G. Schwaab and M. Havenith, Accessing different binding sites of a multifunctional molecule: IR spectroscopy of propargyl alcohol…water complexes in helium droplets,  Phys. Chem. Chem. Phys. 21, 20582 (2019).

(This work appeared on the inside front cover of the journal.)

1. 11. D. Mani, T. Fischer, R. Schwan, A. Dey, B. Redlich, A. F. G. Van Der Meer, G. Schwaab, M. Havenith, A helium nanodroplet setup for mid and far-infrared spectroscopy using pulsed-free-electron lasers: Vibrational spectra of propargyl alcohol, RSC Advances 7, 54318 (2017).

   12. M. Kaufmann, D. Leicht, R. Schwan, D. Mani, G. Schwaab, M. Havenith, Helium droplet infrared spectroscopy of glycine and glycine-water aggregates, Phys. Chem. Chem. Phys. 18, 28082 (2016).

   13. E. Arunan, D. Mani, Dynamics of the chemical bond: Inter- and intra-molecular hydrogen bond, Faraday Discuss. 177, 51 (2015).

   14. D. Mani, E. Arunan, Rotational spectra of propargyl alcohol dimer: A dimer bound with three different types of hydrogen bonds,  J. Chem. Phys. 141, 164311 (2014).

   15. D. Mani, E. Arunan, The X–C···π (X = F, Cl, Br, CN) carbon Bond, J. Phys. Chem. A 118, 10081 (2014).

   16. P. Aiswaryalakshmi, D. Mani, E. Arunan, Fe as hydrogen/halogen bond acceptor in square pyramidal Fe(CO)5,  Inorg. Chem. 52, 9153 (2013).

   17. D. Mani, E. Arunan, Microwave spectroscopic and atoms in molecules theoretical investigations on the Ar⋯propargyl alcohol complex: Ar⋯H-O, Ar⋯π, and Ar⋯C interactions, ChemPhysChem ,14, 754 (2013).

   18. D. Mani, E. Arunan, The X-C⋯Y (X = O/F, Y = O/S/F/Cl/Br/N/P) “carbon bond” and hydrophobic interactions, Phys. Chem. Chem. Phys. 15, 14377 (2013).

(This work appeared on the front cover of the journal and was also selected as a hot article. It was also highlighted by the magazine "Chemical and Engineering News".)

1. 19. D. Mani, V. T. Bhat, K. J. Vinoy, E. Arunan, Towards a broadband chirped pulse Fourier transform microwave spectrometer, Indian J. Phys. 86, 225–235 (2012).

   20. D. Mani, P. Aiswaryalakshmi, E. Arunan, Measuring rotational constant of a molecule without dipole moment and confirming low frequency vibrations using microwave spectroscopy: 13CC5H6/ C6H5D•••Ar complex, Asian J. Spectrosc. Special issue, 31-42 (2010).

     Book Chapters

1.  D. Mani, E. Arunan, The X-C•••Y carbon bond, Non Covalent Forces, Springer series "Challenges and Advances in Computational Chemistry and Physics", 323-356 (2015).

     Other Articles

1.  D. Mani, Science is not a zero sum game: Face to face with Prof. R.N. Zare, Resonance-Journal of Science Education, 19, 471 (2014).