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Issue DateTitleAuthor(s)
5-Jun-2013Ab initio Investigation of Electronic Structure of Endohedral Fullerenes and Prismane FormationEqubal, Asif; N, Sathyamurthy
25-Jun-2015Aggregation of Pmel into Functional AmyloidDogra, Priyanka; Mukhopadhyay, Samrat
15-Jul-2015Algorithm to generate guess structures for transition state optimization and computational study of NHeterocyclic Carbene catalyzed aerobic oxidation of aromatic aldehydes with phenyl boronic acidChawla, Rupali; Balanarayan, P.; Anand, R. Vijaya
10-Jul-2015Analytic Approach to Heteronuclear DecouplingGarg, Rajat; Ramachandran, Ramesh
31-Aug-2016Analytic Theory of Polarization Transfer in Multi-spin SystemsN V, Lakshmi Bhai
9-Aug-2016Aqueous Phase Oxidation of SO2 During Winter Fog at a Sub Urban Site in North-West Indo Gangetic PlainVaishali
1-Jul-2015Atoms In High Intensity And Low Frequency Oscillating Fields : A Modi ed Floquet ApproachPrashant; Balanarayan, P.
13-Aug-2015Attempts Towards Making Photoswitchable Molecular Transporter and Functionalization of 4-AminoazobenzeneRanjan, Ravi
3-Sep-2016Autodetachment in H2- : A Franck-Condon ApproachTeke, Nakul Kushabhau
31-Aug-2016Autoionizing States of Dihydrogen AnionPatidar, Rohit Kumar
1-Jan-2019Bis(phosphinimino)amide Supported Monomeric Heteroleptic Boron Complexes: Synthetic, Reactivity and Structural StudiesJaiswal, Kuldeep
18-Jul-2017Bis-(dialkylamino)-cyclopropenylidene (BAC) Catalyzed Conjugate Addition of Nuleophiles to Para-Quinone Methides and ChalconesSingh, Gurdeep
3-Sep-2016Chemical Reactivity and Structural Investigations on Three Coordinated ChlorostannylenesKumar, Gobbilla Sai
25-Jun-2015Co-crystallization of Active Pharmaceutical Ingredients: An Approach for Physical Property Enhancement and Chiral SeparationVerma, Indu
21-Nov-2019Complex Molecular Integral Evaluation using Long range Short range separation of nuclear-electron attraction integralMeena, Shivam Abhineet; Balanarayan, P.
28-Dec-2018Complexes of Group 13 and 14 Elements with Monoanionic [N,N’] Chelating Ligands: Synthetic, Reactivity and Structural Investigations Including Co(II), Ni(II) and Cu(II) Complexes with Neutral N–ArylimidoylamidinesPrashanth, Billa
2-Jul-2015A Computational Investigation of Cyclic Four-Membered Boron Based SystemsChakraborty, Pratip; Shamasundar, K. R.
12-Jul-2017Computational Studies on Five Membered Heterocyclic Open-Shell Systems and Setting up of Matrix Isolation IR SpectroscopyYadav, Ajit Kumar
15-Jul-2015Computational Study of C-H·· ·F Hydrogen Bonds in Aromatic SystemRaj, Vipin T.; Choudhury, Angshuman Roy
25-Jun-2015Computational Study of Structure, Stability, and Energetics of Model Molecular Complexes Involving C‒H···F Hydrogen BondsMaheshwari, Sudeep