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Number of items: 131.

Majumdar, D and Roy, S and Dey, A and Sutradhar, D (2023) A new trinuclear Cd(II)-based coordination polymer with Salen ligand building blocks: Synthesis, crystallographic aspects, and optimistic photosensitive Schottky barrier diode behaviour. In: Journal of Molecular Structure, 1294 .

Mani, A and Ramasamy, P and Prabhu, AAM and Rajendiran, N (2023) Investigation of Ag and Ag/Co bimetallic nanoparticles with naproxen-cyclodextrin inclusion complex. In: Journal of Molecular Structure, 1284 .

Jyothi, KL and Hema, MK and Kumara, K and Guru Row, TN and Lokanath, NK (2023) Structural elucidation of 1:4:4 stochiometric form of thymine – gallic acid cocrystal hydrate: Hirshfeld surface analysis, 3D energy framework, DFT calculations, and SARS CoV-2 docking studies. In: Journal of Molecular Structure, 1280 .

Majumdar, D and Roy, S and Frontera, A and Gomila, RM and Pal, TK (2023) Crystal engineering of Pb(II)-salen coordination polymer enforced for the selective fluorescence NACs sensing activity in a dispersed aqueous medium: A combined experimental and theoretical DFT monologue. In: Journal of Molecular Structure, 1276 .

Gaur, R and Mishra, L (2023) Supramolecular and theoretical investigation of copper(II) complexes containing 2,2′-bipyridine and substituted chalcone ligands: Estimation of non-covalent interactions. In: Journal of Molecular Structure, 1273 .

Chatterjee, T and Hossain, E and Khan, S and Roy, S and Wabaidur, SM and Islam, MA and Alam, SM and Mir, MH (2023) Construction of a photoluminescent Zn(II)-based 2D MOF via in situ cis-trans isomerization of cis,cis-muconate ligand. In: Journal of Molecular Structure, 1271 .

Gaur, R and Roy, S and Kallem, P and Banat, F (2022) Experimental and theoretical investigation of hydrogen bonded supramolecular assemblies through water molecules in a copper(II)-EGTA complex. In: Journal of Molecular Structure, 1265 .

Hegde, V and Sreekala, CO and Kulkarni, NV and Senthurpandi, D and Mathew, J (2022) Synthesis and characterization of a series of cobalt complexes: Investigation of their efficacy as sensitizers in dye-sensitized solar cell applications. In: Journal of Molecular Structure, 1266 .

Gurumallappa, Gurumallappa and Jayashankar, J and Hema, MK and Karthik, CS and Suma, D and Kumaraswamy, SR and Lokanath, NK and Mallu, P and Nethaji, M and Lu, N (2022) Enchant O H⋅⋅⋅O interactions in hydrated 6-amino-2-methoxypyrimidin-4(3H)one resembles as water flow in the channel: Crystallographic and theoretical investigations. In: Journal of Molecular Structure, 1263 . ISSN 00222860

Vishwanath, T and Ashish, A and Shankar, CKR and Amar, KD (2022) Single-crystal XRD, Hirshfeld surfaces, 3D energy framework calculations, and DFT studies of 4,5-diphenyl-1,3,4-thiadiazole-2-thiolate: A mesoionic compound. In: Journal of Molecular Structure, 1264 .

Das, A and Arunan, E (2022) Measurement of Donor-Acceptor Interchange Tunnelling in Ar(H2O)2 using Rotational Spectroscopy and a Re-look at Its Structure and Bonding. In: Journal of Molecular Structure, 1252 .

Ubale, P and Mokale, S and More, S and Waghamare, S and More, V and Munirathinam, N and Dilipkumar, S and Das, RK and Reja, S and Helavi, VB and Kollur, SP (2022) Evaluation of in vitro anticancer, antimicrobial and antioxidant activities of new Cu(II) complexes derived from 4(3H)-quinazolinone: Synthesis, crystal structure and molecular docking studies. In: Journal of Molecular Structure, 1251 .

S, S and Chandran, H and G, R and S, N and Kumar, M and Krishnan, MA and Kulkarni, NV and Senthurpandi, D and Contractor, SS and Arakera, SB (2022) First row transition metal complexes of bis(3,5-dimethyl pyrazolyl)methane: Synthesis, molecular structure and antibacterial properties. In: Journal of Molecular Structure, 1251 .

G, R and S, N and PM, M and Kulkarni, NV and Senthurpandi, D and Yamijala, SSRKC and Brennessel, WW and Jones, WD (2022) Synthesis and molecular structure of half-sandwich ruthenium(II) complexes containing pyrazolyl ligands: Solvent induced geometrical change in κ2-scorpionate supported complexsupported complex. In: Journal of Molecular Structure, 1251 .

Patil, SS and Tadavi, SK and Dikundwar, A and Bendre, RS (2022) The transition metal complexes of Fe(II), Ni(II) and Cu(II) derived from phthalazine based ligands: Synthesis, crystal structures and biological activities. In: Journal of Molecular Structure, 1247 .

Trivedi, JU and Ghalsasi, P and Ganguly, S and Jenepha Mary, SJ and James, C (2022) Raman spectroscopic study of cinnamyl-1 diphenylmethyl-4 piperazine (Cinnarizine) at high pressure. In: Journal of Molecular Structure, 1253 .

Amsaraj, C and Bharathikannan, R and Muthuraja, P and Rajkumar, M (2021) Analyzing integrated ���, C�H�� and hydrogen bonding interactions in N, N-Dimethyl-4-aminopyridinium benzilate. In: Journal of Molecular Structure, 1242 .

Jonnalagadda, M and Prasad, VB and Raghu, AV (2021) Synthesis of composite nanopowder through Mn doped ZnS-CdS systems and its structural, optical properties. In: Journal of Molecular Structure, 1230 .

Reshma, G and Padmanabhan, V and Varma, AR and Gouri, MS and Nair, UR and Parvathy, PB and Kulkarni, NV and Senthurpandi, D (2021) Synthesis and structure of mono and bis 1,3-bis(2- pyridylimino)isoindoline supported 3d transition metal complexes. In: Journal of Molecular Structure, 1226 .

Kanagaraj, R and Jana, A K and Babu, P D and Siruguri, V and Maji, P K and Panda, S K and Paul, A K (2021) Template-directed hierarchical copper(II)-organophosphonate compounds: Syntheses, crystal structures, magnetic and luminescence properties. In: Journal of Molecular Structure, 1224 .

Bhattarai, S and Sutradhar, D and Chandra, AK (2021) Tuning of halogen-bond strength: Comparative role of basicity and strength of σ-hole. In: Journal of Molecular Structure, 1223 .

Yadav, P and Pandey, SK and Shama, P and Kumar, S and Banerjee, M and Sethi, A (2021) Experimental and theoretical investigation of synthesized pregnenolone derivatives via palladium catalyzed cross coupling reactions, their anticancer activity against lung cancer cells. In: Journal of Molecular Structure, 1245 .

Rajkumar, M and Parameswaran, K and Suresh, E and Chandramohan, A (2021) Supramolecular synthons in 4-chloroanilinium-5-sulfosalicylate monohydrate: In vitro antioxidant and antimicrobial studies. In: Journal of Molecular Structure, 1234 .

Rajkumar, M (2021) A non-centrosymmetric cocrystal assembled by OsbndH�N and CsbndH�� supramolecular synthons. In: Journal of Molecular Structure, 1245 .

Sunil Kumar, N and Krishnamurthy, G and somegowda, M and Pari, M and Ravikumar Naik, TR and Jithedra Kumara, KS and Naik, S and Kandagalla, S and Naik, N (2020) Synthesis, characterization, electrochemistry, biological and molecular docking studies of the novel Co(II), Ni(II) and Cu(II) complexes derived from methanethiol bridged (2-((1H-benzodimidazol-2-yl)methylthio)-1H-benzodimidazol-6-yl)(phenyl)methanone. In: Journal of Molecular Structure, 1220 .

Manjunatha, M and Reddy, GS and Mallikarjunaiah, KJ and Ramesh, KP (2020) Effect of aluminium substitution in magnetically affluent inverse spinel ferrites studied via 57Fe-Internal field NMR. In: Journal of Molecular Structure, 1209 .

Jyothi, KL and Kumara, K and Hema, MK and Mahesha, . and Gautam, R and Guru Row, TN and Lokanath, NK (2020) Structural elucidation, theoretical insights and thermal properties of three novel multicomponent molecular forms of gallic acid with hydroxypyridines. In: Journal of Molecular Structure, 1207 .

Jyothi, KL and Kumara, K and Hema, MK and Mahesha, SS and Gautam, R and Guru Row, TN and Lokanath, NK (2020) Structural elucidation, theoretical insights and thermal properties of three novel multicomponent molecular forms of gallic acid with hydroxypyridines. In: Journal of Molecular Structure, 1207 .

Purohit, AK and Behera, SK and Kar, PK (2020) A terpyridine luminophore: Synthesis, photophysics and selective metal ion�Mediated hydrogelation. In: Journal of Molecular Structure, 1205 .

Amsaraj, C and Bharathikannan, R and Muthuraja, P and Rajkumar, M (2020) Chlorine directed C�Cl � � and C�H�Cl interactions in acridinium 3,5-dichlorosalicylate: Synthesis, X-ray diffraction and theoretical analysis. In: Journal of Molecular Structure, 1220 .

Panicker, L and Thomas, SP and Wadawale, A and Girija, KG and Row, TNG (2020) Reversible order-disorder phase transition and interaction topology in 4-carboxyanilinium nitrate. In: Journal of Molecular Structure .

Sennappan, M and Murali Krishna, P and Hosamani, AA and Hari Krishna, R (2018) Synthesis, characterization, nucleic acid interactions and photoluminescent properties of methaniminium hydrazone Schiff base and its Mn(II), Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) complexes. In: Journal of Molecular Structure, 1164 . pp. 271-279.

Giri, Gopal C and Haldar, Shobhraj and Ghosh, Aloke Kumar and Chowdhury, Priyanka and Carrella, Luca and Ghosh, Utpal and Bera, Manindranath (2017) New cyclic tetranuclear copper(II) complexes containing quadrilateral cores: Synthesis, structure, spectroscopy and their interactions with DNA in aqueous solution. In: Journal of Molecular Structure, 1142 . pp. 175-184. ISSN 00222860

Sarma, Bani Kanta (2013) Redox regulation of protein tyrosine phosphatase 1B (PTP1B): Importance of steric and electronic effects on the unusual cyclization of the sulfenic acid intermediate to a sulfenyl amide. In: Journal of Molecular Structure, 1048 . pp. 410-419.

Dey, Subrata K and Shit, Shyamapada and Sankolli, Ravish and Row, Guru Tayur N (2013) A new 3D cadmium(II) coordination polymer having mu(4)-oxalato, mu-aquo and mu-chlorido bridges: crystal structure, solid state fluorescence and thermal behavior. In: Journal of Molecular Structure, 1048 . pp. 6-10.

Chitra, R and Choudhury, RR and Thiruvenkatam, Vijay and Hosur, MV and Row, Guru TN (2012) Molecular interactions in bis(2-aminopyridinium) malonate: A crystal isostructural to bis(2-aminopyridinium) maleate crystal. In: Journal of Molecular Structure, 1010 . pp. 46-51.

Ganapayya, B and Jayarama, A and Sankolli, Ravish and Hathwar, Venkatesha R and Dharmaprakash, SM (2012) Synthesis, growth, and characterization of a new NLO material 3-(2,3-dimethoxyphenyl)-1-(pyridin-2-yl)prop-2-en-1-one. In: Journal of Molecular Structure, 1007 . pp. 175-178.

Thomas, Sajesh P and Kaur, Ramanpree and Kaur, Jassjot and Sankolli, Ravish and Nayak, Susanta K and Row, Guru TN (2012) The fifth solvatomorph of gallic acid with a supramolecular channel structure: Structural complexity and phase transitions. In: Journal of Molecular Structure, 1032 . pp. 88-92.

Patil, Basavaraj R and Machakanur, Shrinath S and Badiger, Dayananda S and Hunoor, Rekha S and Gudasi, Kalagouda B and Nethaji, Munirathinam and Bligh, Annie SW (2011) Hexa-arm star shaped hydrazone derivatives from hexakis(4-formylphenoxy)-cyclotriphosphazene core. In: Journal of Molecular Structure, 1003 (1-3). pp. 52-61.

Singh, Umesh Prasad (2010) Structure of a cyclic water tetramer in a nucleotide crystal host and a hypothetical model for water cluster growth. In: Journal of Molecular Structure, 983 (1-3). pp. 73-75.

Mahapatra, Sudarshan and Azim, Yasser and Desiraju, Gautam R (2010) Molecular and crystal structure of 4-ethynylcyanobenzene. An example of Csingle bondHcdots, three dots, centeredN hydrogen bonding. In: Journal of Molecular Structure, 976 (1-3, S). pp. 200-204.

Chopra, Deepak and Guru Row, Tayur N and Arunan, Elangannan and Klein, Roger A (2010) Crystalline ethane-1,2-diol does not have intra-molecular hydrogen bonding: Experimental and theoretical charge density studies. In: Journal of Molecular Structure, 964 (1-3). pp. 126-133.

Nayak, Susanta K and Prathapa, SJ and Row, Guru TN (2009) In situ cryocrystallization of low melting chloro and bromo substituted anilines. In: Journal of Molecular Structure, 935 (1-3). pp. 156-160. (Submitted)

Indrani, Murugan and Ramasubramanian, Ramasamy and Fronczek, Frank R and Vasanthacharya, NY and Kumaresan, Sudalaiandi (2009) Self-assembly of three new coordination complexes: Formation of 2-D square grid, 1-D chain and tape structures. In: Journal of Molecular Structure, 931 (1-3). pp. 35-44.

Lepakshaiah, Mahalakshmi and Row, Tayur N Guru (2009) Solid state stacked trimers of 1,10-phenanthroline in a supramolecular tubular motif of C-methyl calix[4]resorcinarene. In: Journal of Molecular Structure, 918 (1-3). pp. 10-13.

Chopra, Deepak and Nagarajan, K and Row, Guru TN (2008) Analysis of weak interactions involving organic fluorine: Insights from packing features in substituted 4-keto-tetrahydroindoles. In: Journal of Molecular Structure, 888 (1-3). pp. 70-83.

Viswanatha, R and Reddy, Venkata Subba M and Reddy, Narayana C and Chakradhar, Sreekanth RP (2008) Infrared and MAS NMR studies of potassium borovanadate glasses. In: Journal of Molecular Structure . (In Press)

Chandrasekhar, Sosale and Chopra, Deepak and Gopalaiah, Kovuru and Row, Tayur N Guru (2007) The generalized anomeric effect in the 1,3-thiazolidines: Evidence forboth sulphur and nitrogen as electron donors. Crystal structures of various N-acylthiazolidines including mercury(II) complexes. Possible relevance to penicillin action. In: Journal of Molecular Structure, 837 (1-3). pp. 118-131.

Chattopadhyay, Tanmay and Banu, Kazi Sabnam and Banerjee, Arpita and Ribas, Joan and Majee, Adinath and Nethaji, Munirathinam and Das, Debasis (2007) A novel single pot synthesis of binuclear copper(II) complexes of macrocyclic and macroacyclic compartmental ligands: Structures and magnetic properties. In: Journal of Molecular Structure, 833 (1-3). pp. 13-22.

Suni, V and Kurup, Prathapachandra MR and Nethaji, Munirathinam (2005) Unusual isolation of a hemiaminal product from 4-cyclohexyl-3-thiosemicarbazide and di-2-pyridyl ketone: Structural and spectral investigations. In: Journal of Molecular Structure, 749 (1-3). pp. 177-182.

Sosale, Chandrasekhar and Chopra, Deepak and Guru Row, Tayur N (2005) Oscillation of spontaneously generated optical activity in (\pm)-1-(p-nitrobenzoyloxy)indane solutions: 'serial $S_N2$ reactions' in aggregates supported by the crystal structure. Frozen $S_N2$ transition states and enantioselective distortions. In: Journal of Molecular Structure, 738 (1-3). pp. 113-116.

Dan, Meenakshi (2004) A mixed valent iron glycinate with the kagome structure. In: Journal of Molecular Structure, 706 (1-3). pp. 127-131.

Vivekanandan, S and Joy, Anu and Suryaprakash, N (2004) Determination of molecular structure by NMR using low order orientation in bicelles. In: Journal of Molecular Structure, 694 (1-3). pp. 241-247.

Karan, Naba K and Arunan, E (2004) Chlorine bond distances in ClF and $Cl_2$ complexes. In: Journal of Molecular Structure, 688 (1-3). pp. 203-205.

Balasubrahmanyam, SN and Kulkarni, GU and Gopalan, RS and Kumar, AS and Hiremath, US (2003) The central region of meso-3,4-diphenylhexane-2,5-dione. In: Journal of Molecular Structure, 645 (2-3). 159-169 .

Sudharsanam, Ramanathan and Chandrasekaran, Srinivasan and Das, Puspendu Kumar (2003) Oxygen bridged nitroanilines for quadratic nonlinear optics. In: Journal of Molecular Structure, 645 (1). pp. 51-59.

Mathew, Suresh and Paul, Geo and Shivasankar, K and Choudhury, Amitava and Rao, CNR (2002) Supramolecular hydrogen-bonded structures in organic amine squarates. In: Journal of Molecular Structure, 641 (2-3). pp. 263-279.

Gulyani, A and Gopalan, Srinivasa R and Kulkarni, GU and Bhattacharya, S (2002) Twisted aromatics, 9-anthryl and 1-pyrenyl terpyridines organize into novel multi-directional 'ladder-like' motifs in the solid state. In: Journal of Molecular Structure, 616 (1-3). pp. 103-112.

Roy, Abhijit and Choudhury, Amitava and Rao, CNR (2002) Supramolecular hydrogen-bonded structure of a 1 : 2 adduct of melamine with boric acid. In: Journal of Molecular Structure, 613 (1-3). pp. 61-66.

Nandini, G and Sathyanarayana, DN (2002) Ab initio studies on molecular conformation and vibrational spectra of propionamide. In: Journal of Molecular Structure, 586 . pp. 125-135.

Choudhury, AR and Urs, UK and Row, Guru TN and Nagarajan, K (2002) Weak interactions involving organic fluorine: a comparative study of the crystal packing in substituted isoquinolines. In: Journal of Molecular Structure, 605 (1). pp. 71-77.

Vivekanandan, S and Deepak, Vinay HS and Gowda, Nagana GA and Ramanathan, KV and Khetrapal, CL (2002) NMR spectra of mixed liquid crystals of opposite diamagnetic susceptibility anisotropies near critical point under variable angle sample spinning. In: Journal of Molecular Structure, 602-60 . pp. 485-489.

Prasanna, MD and Row, Guru TN (2001) Weak interactions involving organic fluorine: analysis of structural motifs in Flunazirine and Haloperidol. In: Journal of Molecular Structure, 562 (1-3). pp. 55-61.

Prasanna, MD and Row, Guru TN (2001) Hydrogen bonded networks in hydrophilic channels: crystal structure of hydrated Ciprofloxacin Lactate and comparison with structurally similar compounds. In: Journal of Molecular Structure, 559 (1-3). pp. 255-261.

Ghosh, Yamuna Krishnan and Gopalanb, Srinivasa R and Kulkarni, GU and Bhattacharya, Santanu (2001) Structure of cholest-5-en-3$\beta$-oxy-5-bromopentane by singlecrystal X-ray diffraction at 130 K. In: Journal of Molecular Structure, 560 (1-3). pp. 345-355.

Krishnan, R and Seshadri, TP (2000) A parallel stranded $2^{\prime}-5^{\prime}$ double helical model for poly A: crystal structure of adenylyl-$2^{\prime},5^{\prime}$-adenosine trihydrate and comparison with the tetrahydrate structure. In: Journal of Molecular Structure, 522 (1-3). pp. 135-143.

De, Soma and Lokanath, NK and Sridhar, MA and Prasad, Shashidhara J and Venkatesan, K and Bhattacharya, Santanu (1999) Structure of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecyl 1,10-ditosylate by X-ray crystallography and F-19-NMR spectroscopy. In: Journal of Molecular Structure, 479 (1). 75-81 .

Balakrishnan, G and Umapathy, S (1999) Photogenerated radical intermediates of vitamin K-1: a time-resolved resonance Raman study. In: Journal of Molecular Structure, 475 (1). pp. 5-11.

Vishveshwara, Saraswathi and Jacob, Rebecca and Nadig, Gautham and Maizel Jr, Jacob V (1998) The role of lysine-41 in RNase A catalysis - A quantum chemical study on the active site ligand complex. In: Journal of Molecular Structure, 471 (1-3). 01-11.

Singh, Netai C and Sathyanarayana, DN (1998) 1H and 13C NMR spectral studies of conformation of some N-(2-pyridinyl)-3-pyridinecarboxamides. In: Journal of Molecular Structure, 449 (1). pp. 91-98.

Singha, Netai C and Sathyanarayana, DN (1998) $^1H$ and $^{13}C$ NMR spectral studies of conformation of some N-(2-pyridinyl)-3-pyridinecarboxamides. In: Journal of Molecular Structure, 449 (1). pp. 91-98.

Singha, Nethai C and Anand, Jayashree and Sathyanarayana, DN (1998) Proton magnetic resonance study of the molecular conformation of N-(3-pyridinyl)3-pyridinecarboxamide, N-(3-pyridinyl)acetamide and 3-pyridinecarboxamide. In: Journal of Molecular Structure, 443 (1-3). 01-08.

Sen, Rahul and Sumathy, R and Satishkumar, BC and Rao, CNR (1997) Investigations of diamond-graphite hybrids and fullerenes with seven-membered rings. In: Journal of Molecular Structure, 436-43 . pp. 11-18.

Anand, Jayashree and Singha, Netai C and Sathyanarayana, DN (1997) NMR study of the conformation of N-(3-pyridinyl)-2- pyridinecarboxamide, N-(3-pyridinyl)acetamide and 2-pyridinecarboxamide. In: Journal of Molecular Structure, 412 (3). pp. 221-229.

Singha, Netai C and Sathyanarayana, DN (1997) $^1H$ and $^{13}C$ NMR investigations of N,N'-bis(2- and 3-pyridinyl)-2,6-pyridine dicarboxamides. In: Journal of Molecular Structure, 403 (1-2). pp. 123-135.

Ganeshsrinivas, E and Sathyanarayana, DN and Machida, K and Miwa, Y (1997) Simulation of infrared spectra of formamide by the extended molecular mechanics method. In: Journal of Molecular Structure, 403 (1-2). pp. 153-162.

Vijay, Amrendra and Sathyanarayana, DN (1996) Theoretical studies of structure, ground state vibrations and force field of methyldiborane. In: Journal of Molecular Structure, 384 (2-3). pp. 203-214.

Mohanalingam, K and Nethaji, M and Das, Puspendu Kumar (1996) Second harmonic generation in push-pull ethylenes: Influence of chirality and hydrogen bonding. In: Journal of Molecular Structure, 378 (3). pp. 177-188.

Vijay, Amrendra and Sathyanarayana, DN (1996) Theoretical investigation of equilibrium structure, harmonic force field and vibrational spectra of borane diammine: effects of basis set and electron correlation. In: Journal of Molecular Structure, 375 (1-2). pp. 127-141.

Vijay, Amrendra and Sathyanarayana, DN (1995) Effects of basis set and electron correlation on the structure and vibrational spectra of diborane. In: Journal of Molecular Structure, 351 . pp. 215-229.

Vijay, A and Sathyanarayana, DN (1994) Use of L matrix to obtain reliable ab initio force constants of polyatomic molecules: ethylene as a test system. In: Journal of Molecular Structure, 328 . 269-276 .

Agarwala, BV and Puri, V and Naganagowdab, GA and Khetrapai, CL (1994) The exchange processes in o-vanillin salicyloylhydrazone as studied by two-dimensional NMR. In: Journal of Molecular Structure, 327 (2-3). pp. 131-137.

Vijay, A and Sathyanarayana, DN (1994) Ab initio study of molecular conformations, ground state force field and vibrational spectra of S-methyl dithiocarbamate. In: Journal of Molecular Structure, 327 (2-3). pp. 181-191.

Rao, Sheela and Krishnan, V (1994) Effect of meso-substituents in the modulation of electronic properties of octaalkylporphine. In: Journal of Molecular Structure, 327 (2-3). pp. 279-285.

Ramasesha, S and Sinha, B and Albert, IDL (1994) Nature of exchange interactions in stacked radicals/radical-ions of cyclic polyenes. In: Journal of Molecular Structure, 327 (2-3). pp. 173-180.

Ravichandran, Sarangan and Bagchi, Biman (1994) Non-exponential orientational relaxation in dipolar solids: The role of dipolar interactions and dielectric friction. In: Journal of Molecular Structure, 327 (2-3). pp. 247-254.

Rathna, A and Chandrasekhar, Jayaraman (1994) Resilience of the fullerene cage: analysis of distortions in computed structures of fullerene derivatives. In: Journal of Molecular Structure, 327 (2-3). pp. 255-263.

Rao, CNR and Seshadri, Ram and Govindaraj, A and Mittal, JP and Pal, H and Mukherjee, T (1993) Electronic absorption and emission spectroscopic investigations of the interaction of the fullerenes, C60 and C70, with amines and aromatic molecules. In: Journal of Molecular Structure, 300 . pp. 289-301.

Vijay, Amrendra and Sathyanarayana, DN (1993) Ab initio study of the force field, geometry and vibrational assignment of urea. In: Journal of Molecular Structure, 295 . pp. 245-258.

Varma, Vijay and Rao, CNR (1992) An infrared and Raman study of the phase transitions and the torsional barrier in hydrazonium sulfate, $N_2H_6S0_4$. In: Journal of Molecular Structure, 268 (1-3). pp. 1-11.

Krishnamoorthy, TV and Ramakrishna, J and Babu, PK (1991) Temperature and pressure dependence of 35Cl NQR in NaClO3 and Ba(ClO3)2·H2O. In: Journal of Molecular Structure, 249 (2-4). pp. 377-390.

Krishnamoorthy, TV and Babu, PK and Ramakrishna, J (1991) Temperature and pressure dependence of$^3^5Cl\hspace{2mm} NQR$ in $NaCLO_3$ and $Ba\hspace{2mm}(ClO_3)_2 {\cdot}H_2O$. In: Journal of Molecular Structure, 249 (2-4). pp. 377-390.

Pradeep, T and Hegde, MS and Rao, CNR (1991) Electron states of 1: 1 addition compounds of $AlCl_3$, and $GaCl_3$, with electron donor molecules: a HeI photoelectron spectroscopic study. In: Journal of Molecular Structure, 247 . pp. 217-223.

Pradeep, T and Rao, CNR (1990) Electronic Transitions of Hydrogen Bonded Complexes: An Electron Energy Loss Spectroscopic Study. In: Journal of Molecular Structure, 224 . pp. 21-31.

Sreerama, N and Saraswathi, Vishveshwara (1989) Ab initio studies on proton transfer involving Schiff base and related nitrogen compounds. In: Journal of Molecular Structure, 212 . pp. 53-60.

Varma, Vijay and Fernandes, JR and Rao, CNR (1989) Raman and Infrared Spectroscopic Studies of the Low- and High-Temperature Forms of Octahalo Cyclic Phosphazene Tetramers, $P_4N_4Cl_8$ and $P_4N_4F_8$. In: Journal of Molecular Structure, 198 . pp. 403-412.

Barnes, AJ and Rao, CNR and Ratajczak, H (1989) Special Issue - Molecular-Spectroscopy And Molecular-Structure - A Collection Of Invited Papers In Honor Of Orvillethomas,W.J. In: Journal of Molecular Structure, 198 . R9-R10.

Subramanian, N and Raman, KV (1989) NQR study of complexes between p-dichlorobenzene and some aromatic π acceptors. In: Journal of Molecular Structure, 197 . pp. 53-57.

Rao, VSR and Biswas, Margaret and Mukhopadhyay, Chaitali and Balaji, PV (1989) Computer simulation of protein—carbohydrate complexes: application to arabinose-binding protein and pea lectin. In: Journal of Molecular Structure, 194 . pp. 203-214.

Ramasesha, S (1989) Effects of electron correlations in conjugated organic molecules and solids. In: Journal of Molecular Structure, 194 . pp. 149-162.

Sudhakara, Pamidighantam V and Chandrasekhar, Jayaraman (1989) Geometry changes induced by negative hyperconjugative interactions involving carbonyl and thiocarbonyl groups. In: Journal of Molecular Structure, 194 . pp. 135-147.

Bagchi, Biman and Castner, Edward W and Fleming, Graham R (1989) On the generalized continuum model of dipolar solvation dynamics. In: Journal of Molecular Structure, 194 . pp. 171-181.

Sreerama, N and Vishveshwara, Saraswathi (1989) An ab-initio study of the proton affinity of conjugated schiff-base and related nitrogen compounds: an analysis of the triggering site of bacteriorhodopsin. In: Journal of Molecular Structure, 194 . pp. 61-72.

Pradeep, T and Sreekanth, CS and Hegde, MS and Rao, CNR (1989) A study of the electronic structures of n---v addition compounds of BH3 by a combined use of ups and eels. In: Journal of Molecular Structure, 194 . pp. 163-170.

Sathyanarayana, DN and Raja, SV Kasmir (1987) Vibrational and 1H NMR spectra of N-(2-pyridyl)-thioformamide and N-(2-pyridyl)thioacetamide. In: Journal of Molecular Structure, 157 (4). pp. 399-408.

Raghoottama, PS and Soundararajan, S and Ramakrishna, J (1987) Spectroscopic investigations of phase transition in 5-chloro-2-pyridone. In: Journal of Molecular Structure, 157 (4). pp. 371-384.

Sen, P and Rao, CNR and Thomas, JM (1986) Structure of Alkali Metal Ionic Clusters. In: Journal of Molecular Structure, 146 . pp. 171-174.

Sudha, LV and Sathyanarayana, DN (1985) C NMR study of 1,3-pyridylmethyl ureas and -thioureas. In: Journal of Molecular Structure, 131 (3-4). pp. 253-259.

Sudha, LV and Manogaran, S and Sathyanarayana, DN (1985) 1H and 13C NMR study of pyridylamides and thionamides. In: Journal of Molecular Structure, 129 (1-2). pp. 137-144.

Sudha, LV and Sathyanarayana, DN (1985) 1H and 13C dynamic NMR studies of NN-diethyl N'-aryl thioureas. In: Journal of Molecular Structure, 127 (3-4). pp. 313-317.

Sudha, LV and Sathyanarayana, DN (1985) $^1H$ and $^{13}C$ dynamic NMR Studies of N,N-Diethyl N'-Aryl Thioureas. In: Journal of Molecular Structure, 127 (3-4). pp. 313-317.

Rukmani, K and Ramakrishna, J (1985) Cl NQR Studies in 2,4,6-, 2,3,6-, and 2,3,4-Trichloro Anisoles. In: Journal of Molecular Structure, 127 (1-2). 149 -158.

Sudha, LV and Sathyanarayana, DN (1985) Molecular-Conformation of 1,3-Pyridylphenylureas by H-1 and C-13 NMR-study. In: Journal of Molecular Structure, 131 (1-2). pp. 141-146.

Sudha, LV and Sathyanarayana, DN (1984) Infrared and $^1H$-NMR study of molecular conformation of some N,N'-arylalkylureas. In: Journal of Molecular Structure, 125 (1-2). pp. 89-96.

Arumugam, S and Kunwar, AC and Khetrapal, CL (1984) The NMR spectrum of anthranil oriented in a nematic phase. In: Journal of Molecular Structure, 117 (1-2). pp. 157-159.

Suryaprakash, N and Kunwar, AC and Khetrapal, CL (1983) The influence of bond-polarisation on the molecular structures of halo-fluorobenzenes. In: Journal of Molecular Structure, 101 (2). pp. 121-125.

Kulkarni, GV and Rao, CNR (1983) A Comparative Study of Lithium, Sodium and Hydrogen Bonds Formed by 1:1 Interaction of Electron Donor Molecules with Lithium, Sodium and Hydrogen Halides. In: Journal of Molecular Structure, 100 . pp. 531-537.

Manogaran, S and Sathyanarayana, DN (1983) $^1H$ and $^{13}C$ NMR and Infrared Spectroscopic Study of the Conformational Equilibria in S-methyl Dithiocarbazate. In: Journal of Molecular Structure, 99 (3-4). pp. 267-273.

Manogaran, S and Sathyanarayana, DN (1983) A comparison of the molecular orbital (ab initio, CNDO and EHT) methods applied to the conformational study of thiocarbonohydrazide in its basic and diprotonated forms. In: Journal of Molecular Structure, 104 (1-2). pp. 215-220.

Manogaran, S and Sathyanarayana, DN (1982) NMR (1H, 13C) and MO (ab initio, CNDO/2, EHT) studies on basic and N-protonated hydrazinecarbothioamide. In: Journal of Molecular Structure, 96 (1-2). pp. 73-79.

Rao, CNR and Sarma, DD (1982) Auger studies of transition metal oxides. In: Journal of Molecular Structure, 79 (1-4). pp. 177-180.

Rao, CNR and Ganguly, P and Jagannathan, K (1982) Study of solids and surfaces by photoacoustic spectroscopy. In: Journal of Molecular Structure, 79 (1-4). pp. 173-176.

Khetrapal, CL and Kunwar, AC (1981) Proton NMR spectra including 13C- and 77Se-satellites in organoselenium compounds oriented in the nematic phase : Part 1. The spectrum of 2,1,3-benzoselenadiazole. In: Journal of Molecular Structure, 74 (2). pp. 343-345.

Hosur, Ramakrishna V and Govi, Girjesh and Hosur, Madhusoodan V and Viswamitra, MA (1981) Sequence effects in structures of the dinucleotides d-pApT AND d-pTpA. In: Journal of Molecular Structure, 72 (Mar). pp. 261-267.

Kulkarni, GV and Ray, Arabinda (1981) Molecular orbital studies on some 4-substituted pyridine N-oxides and 4-nitroquinoline N-oxide. In: Journal of Molecular Structure, 71 (Febrau). pp. 253-262.

Manogaran, S and Sathyanarayana, DN and Volka, K (1981) Molecular vibrations, electronic structure and conformation of diprotonated thiocarbohydrazide. In: Journal of Molecular Structure, 71 . pp. 51-59.

Devi, KR Gayathri and Sathyanarayana, DN (1981) Infrared spectra of 1.3-dithiole-2-thione and its selenium analogues ând frequency assignment and molecular force constants. In: Journal of Molecular Structure, 71 (Feb). pp. 1-15.

Sridharan, KR and Ramakrishna, J and Ramachandran, K and Krishnamurthy, SS (1980) NQR Studies of the chloro(amino)cyclotriphosphazenes, N3P3(NHCH2·CH2NH)Cl4, N3P3(NHBut)4Cl4 and N3P3(NHBut)4Cl2. In: Journal of Molecular Structure, 69 (Dec). pp. 105-115.

Kulkarni, GV and Ray, Arabinda and Patel, CC (1978) Molecular orbital studies on nicotinic acid, nicotinamide and related compounds. In: Journal of Molecular Structure, 49 (2). 373-382 .

Saraswathi, N and Soundararajan, S (1969) Charge distribution, dipole moments and infrared spectra of some thiol and thio acids. In: Journal of Molecular Structure, 4 (5-6). pp. 419-433.

Saraswathi, N and Soundararajan, S (1969) Charge distribution, dipole moments and infrared spectra of some thiol and thio acids. In: Journal of Molecular Structure, 4 (5-6). pp. 419-433.

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