In quest of Strong Be-Ng Bonds among the Neutral Ng-Be Complexes
Authors: S. Pan, D. Moreno, J. L. Cabellos, J. Romero, A. Reyes, G. Merino, and P. K. Chattaraj Journal: J. Phys. Chem. A, (2014) 118, 487. (Published as a cover article.) Considered by the Editor as one of the top-cited and/or top accessed papers in JPC A, B, C/JPCL from India (2012-16). Also published Year: 2017 Posted: 22 Dec 2018
A Cu(II)-MOF Capable of Fixing CO2 From Air and Showing High Capacity H2 and CO2 Adsorption
Authors: V. Sharma, D. De, R. Saha, R. Das, P. K. Chattaraj and P. K. Bharadwaj Journal: Chem. Commun. (2017), 53, 13371-13374. Year: 2017 Posted: 22 Dec 2018
Finite temperature grand canonical ensemble study of the minimum electrophilicity principle
Authors: R. Miranda-Quintana, P. K. Chattaraj and P. Ayers Journal: J. Chem. Phys. (2017) 147, 124103. Year: 2017 Posted: 22 Dec 2018
HNgBeF3 (Ng = Ar - Rn): Superhalogen Supported Noble Gas Insertion Compounds
Authors: R. Saha, B. Mandal and P. K. Chattaraj Journal: Int. J. Quantum Chem. (2017) 115, e25499 DOI: 10.1002/qua.25499. Year: 2017 Posted: 22 Dec 2018
Effect of Functionalization of Boron Nitride Flakes by Main Group Metal Clusters on their Optoelectronic Properties
Authors: D. Chakraborty and P. K. Chattaraj Journal: J. Phys. Condens. Matter, (2017) 29, 425201. Year: 2017 Posted: 22 Dec 2018
Endohedral Gas Adsorption by Cucurbit[7]uril: A Theoretical Study
Authors: S. Pan, G. Jana, A. Gupta, G. Merino and P. K. Chattaraj Journal: Phys. Chem. Chem. Phys., (2017) 19, 24448-24452. Year: 2017 Posted: 22 Dec 2018
Change in Optoelectronic Properties of ExBox+4 on Functionalization and Guest Encapsulation
Authors: D. Chakraborty, R. Das and P. K. Chattaraj Journal: Phys. Chem. Chem. Phys., (2017) 19, 23373-23385. Year: 2017 Posted: 22 Dec 2018
MNgCCH (M = Cu, Ag, Au; Ng = Xe, Rn): The First Set of Compounds with M-Ng-C Bonding Motif
Authors: G. Jana, S. Pan, G. Merinoand P. K. Chattaraj Journal: J. Phys. Chem. A, (2017) 121, 6491-6499. Year: 2017 Posted: 22 Dec 2018
Aromaticity and antiaromaticity of substituted fulvene derivatives: Perspective from information-theoretic approach in density functional reactivity theory
Authors: D. Yu, C. Rong, T. Lu, P. K. Chattaraj, F. De Proft and S. Liu Journal: Phys. Chem. Chem. Phys., (2017) 19,18635-18645. Year: 2017 Posted: 22 Dec 2018
Does Confinement Always Lead to Thermodynamically and/or Kinetically Favorable Reactions ?: A Case Study using Diels-Alder Reactions within ExBox+4 and CB[7]
Authors: D. Chakraborty, R. Das and P. K. Chattaraj Journal: ChemPhysChem, (2017) 18, 2162-2170. Year: 2017 Posted: 22 Dec 2018
Aromaticity in the light of magnetic criterion
Authors: M. Homray, A. Misra and P. K. Chattaraj Journal: Curr. Org. Chem. (2017) 21, 1. Year: 2017 Posted: 22 Dec 2018
Binding of Small Gas Molecules by Metal-Bipyridyl Monocationic Complexes (Metal = Cu, Ag, Au) and Possible Bond Activations Therein
Authors: G. Jana, S. Pan and P. K. Chattaraj Journal: J. Phys. Chem. A, (2017) 121, 3803?3817. Year: 2017 Posted: 22 Dec 2018
NgMCp+: Noble Gas Bound Half-Sandwich Complexes (Ng = He-Rn, M = Be-Ba, Cp = η5-C5H5)
Authors: R. Saha, S. Pan and P. K. Chattaraj Journal: J. Phys. Chem. A, (2017) 121, 3526?3539. Year: 2017 Posted: 22 Dec 2018
A Spinning Umbrella: Carbon Monoxide and Dinitrogen Bound MB12- Clusters (M = Co, Rh, Ir)
Authors: R. Saha, S. Kar, S. Pan, G. Mart?nez-Guajardo, G. Merino and P. K. Chattaraj Journal: J. Phys. Chem. A, (2017) 121, 2971?2979. Year: 2017 Posted: 22 Dec 2018
Ligand Supported E3 Clusters (E = Si ‐ Sn)
Authors: S. Pan, R. Saha, E. Osorio, P. K. Chattaraj, G. Frenking and G. Merino Journal: Chem. Eur. J., (2017) 23, 7463 ?7473. Year: 2017 Posted: 22 Dec 2018
Modeling of 1-D Nanowires and Analyzing Their Hydrogen and Noble Gas Binding Ability
Authors: S. Pan, R. Saha, A. Gupta and P. K. Chattaraj Journal: J. Chem. Sci., (2017) 129, 849?858. Year: 2017 Posted: 22 Dec 2018
The Strongest CO Binding and the Largest C-O Stretching Frequency
Authors: R. Saha, S. Pan, G. Frenking, P. K. Chattaraj and G. Merino Journal: Phys. Chem. Chem. Phys., (2017) 19, 2286-2293. Year: 2017 Posted: 22 Dec 2018
Sequestration and Activation of Small Gas Molecules on BN-Flakes and the Effect of Various Metal Oxide Molecules therein
Authors: D. Chakraborty and P. K. Chattaraj Journal: J. Phys. Chem. C, (2016) 120, 27782−27799. Year: 2016 Posted: 22 Dec 2018
Statistical Significance of the Maximum Hardness Principle Applied to Some Selected Chemical Reactions
Authors: R. Saha, S. Pan, and P. K. Chattaraj, Journal: Molecules, (2016) 21, 1477. Year: 2016 Posted: 22 Dec 2018
Noble Gas Binding Ability of Metal-bipyridine Monocationic Complexes (Metal = Cu, Ag, Au): A Computational Study
Authors: G. Jana, R. Saha, S. Pan, A. Kumar, G. Merino and P. K. Chattaraj Journal: ChemistrySelect, (2016) 18, 5842-5849. Year: 2016 Posted: 22 Dec 2018
Possible Sequestration of Polar Gas Molecules by Superhalogen Supported Aluminium Nitride Nanoflakes
Authors: D. Chakraborty and P. K. Chattaraj Journal: J. Mol. Model., (2016) 22, 271. Year: 2016 Posted: 22 Dec 2018
Noble Gas Bound Beryllium Chromate and Beryllium Hydrogen Phosphate: A Comparison with Noble Gas Bound Beryllium Oxide.
Authors: S. Pan, M. Ghara. S. Ghosh and P. K. Chattaraj Journal: RSC Adv., (2016) 6, 92786-92794. Year: 2016 Posted: 22 Dec 2018
Ring Expansion of Donor-Acceptor Cyclopropane via Substituent Controlled Selective N-transfer of Oxaziridine: Synthetic and Mechanistic Insights.
Authors: A. Ghosh, S. Mandal, P. K. Chattaraj and P. Banerjee Journal: Org. Lett., (2016) 18, 4940-4943. Year: 2016 Posted: 22 Dec 2018
Noble gas supported B3+ cluster: formation of strong covalent noble gas-boron bonds
Authors: R. Saha, S. Pan, S. Mandal, M. Orozco, G. Merino and P. K. Chattaraj Journal: RSC Adv., (2016) 6, 78611-78620. Year: 2016 Posted: 22 Dec 2018
Selectivity in Gas Adsorption by Molecular Cucurbit[6]uril
Authors: S. Pan, R. Saha, S. Mandal, S. Mondal, A. Gupta, H. M. Fern?ndez, G. Merino and P. K. Chattaraj Journal: J. Phys. Chem. C, (2016) 120, 13911?13921. Year: 2016 Posted: 22 Dec 2018
A computational study on structure, stability and bonding in Noble Gas bound metal Nitrates, Sulfates and Carbonates (Metal = Cu, Ag, Au)
Authors: M. Ghara. S. Pan, A. Kumar, J. Deb, U Sarkar and P. K. Chattaraj Journal: J. Chem. Sci., (2016) 128, 1537-1548. Year: 2016 Posted: 22 Dec 2018
Optical Response and Gas Sequestration Properties of Metal Cluster Supported Graphene Nanoflakes
Authors: D. Chakraborty and P. K. Chattaraj Journal: Phys. Chem. Chem. Phys., (2016) 18, 18811-18827. Year: 2016 Posted: 22 Dec 2018
Structure, Stability, and Nature of Bonding in Carbon Monoxide bound EX3+ Complexes (E = Group 14 element; X = H, F, Cl, Br, I)
Authors: M. Ghara. S. Pan, A. Kumar, G. Merino and P. K. Chattaraj Journal: J. Comp. Chem., (2016) 37, 2202?2211. Year: 2016 Posted: 22 Dec 2018
Solution of the "Classical" Schrodinger equation for a driven symmetric triple well: A comparison with its classical counterpart
Authors: S. Kar and P. K. Chattaraj Journal: Int. J. Quantum Chem., (2016) 116, 1224?1243. Year: 2016 Posted: 22 Dec 2018
Encapsulation of small gas molecules and rare gas atoms inside the octa acid cavitand
Authors: D. Chakraborty, S. Pan and P. K. Chattaraj Journal: Theor. Chem. Acc., (2016) 135, 119. Year: 2016 Posted: 22 Dec 2018
Structure and Bonding of IrB12-: Converting a Rigid Boron B12 Platelet to a Wankel Motor
Authors: L. Liu, D. Moreno, E. Osorio, A. Castro, S. Pan, P. K. Chattaraj, T. Heine and G. Merino Journal: RSC Adv., (2016) 6, 27177?27182. Year: 2016 Posted: 22 Dec 2018
A Noble Interaction: An Assessment of Noble Gas Binding Ability of Metal Oxides (Metal = Cu, Ag, Au)
Authors: S. Pan, R. Saha, A. Kumar, A. Gupta, G. Merino, and P. K. Chattaraj Journal: Int. J. Quantum Chem., (2016) 116, 1016?1024. Year: 2016 Posted: 22 Dec 2018
Viability of Aromatic All-Pnictogen Anions
Authors: S. Mandal, S. Nandi, A. Anoop and P. K. Chattaraj Journal: Phys. Chem. Chem. Phys., (2016) 18, 11738--11745. Year: 2016 Posted: 22 Dec 2018
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
Authors: S. Pan, R. Saha, S. Mandal and P. K. Chattaraj Journal: Phys. Chem. Chem. Phys., (2016) 18, 11661-11676. Year: 2016 Posted: 22 Dec 2018
How Strong are the Metallocene-Metallocene Interactions? Case of Ferrocene, Ruthenocene, and Osmocene
Authors: A. Vargas-Caamal, S. Pan, F. Ortiz-Chi, J. L. Cabellos, R. A. Boto, J. Contreras-Garcia, A. Restrepo, P. K. Chattaraj and G. Merino Journal: Phys. Chem. Chem. Phys., (2016) 18, 550-556. Year: 2016 Posted: 22 Dec 2018
Structure and Stability of Noble Gas bound EX3+ Compounds (E = C, Ge, Sn, Pb; X = H, F, Cl, Br)
Authors: S. Pan, D. Moreno, S. Ghosh, G. Merino, and P. K. Chattaraj, Journal: J. Comp. Chem., (2016), 37, 226?236. Year: 2016 Posted: 22 Dec 2018
Fermi accelerator: A new insight from quantum theory of motion
Authors: S. Kar, R. Carbó-Dorca and P. K. Chattaraj Journal: Int. J. Quant. Chem., (2015) 115, 1738. Year: 2015 Posted: 22 Dec 2018
Hydrogen Trapping Potential of (HF)m (m=1-8) and (H2O)n (n=1-10) Clusters
Authors: S. Mondal, M. Ghara, and P. K. Chattaraj Journal: Comp. Theor. Chem. (2015) 1071, 18. Year: 2015 Posted: 22 Dec 2018
A Coupled-Cluster Study on the Noble Gas binding Ability of Metal Cyanides versus Metal Halides (Metal = Cu, Ag, Au)
Authors: S. Pan, A. Gupta, R. Saha, G. Merino and P. K. Chattaraj Journal: J. Comp. Chem., (2015) 36, 2168. Year: 2015 Posted: 22 Dec 2018
Analyzing Torquoselectivity in Electrocyclic Ring Opening Reactions of trans-3,4-Dimethylcyclobutene and 3-Formylcyclobutene through Electronic Structure Principles
Authors: A. Morales-Bayuelo, S. Pan, J. Caballero and P. K. Chattaraj Journal: Phys. Chem. Chem. Phys., (2015) 17, 23104. Year: 2015 Posted: 22 Dec 2018
On the Stability of Noble Gas bound 1-Tris(pyrazolyl)borate Beryllium and Magnesium Complexes
Authors: S. Pan, R. Saha, and P. K. Chattaraj Journal: New J. Chem., (2015) 39, 6778. Year: 2015 Posted: 22 Dec 2018
Three-dimensional networks containing rectangular Sr4 and Ba4 units: Synthesis, structure, bonding and potential application for Ne gas separation
Authors: S. Mondal, S. Pan, D. Deb, S. Giri, S. Duley, S. Radenkovi?, D. L. Cooper, P. Bultinck, A. Anoop, M. Bhattacharjee, and P. K. Chattaraj Journal: Int. J. Quantum Chem., (2015) 115, 1501. Year: 2015 Posted: 22 Dec 2018
A Comparative Study on the Noble Gas binding ability of BeX Clusters (X = SO4, CO3, O)
Authors: R. Saha, S. Pan, and P. K. Chattaraj Journal: J. Phys. Chem. A, (2015) 119, 6746. Year: 2015 Posted: 22 Dec 2018
Interaction of BN- and BP- doped Graphene Nanoflakes with Some Representative Neutral Molecules and Anions
Authors: D. Chakraborty, and P. K. Chattaraj Journal: Mol. Phys., (2015) 113, 2916. Year: 2015 Posted: 22 Dec 2018
Orbital Free DFT versus Single Density Equation: A Perspective through Quantum Domain Behavior of a Classically Chaotic System
Authors: D. Chakraborty, S. Kar, and P. K. Chattaraj Journal: Phys. Chem. Chem. Phys., (2015) 17, 31516-31529. Year: 2015 Posted: 22 Dec 2018
Cucurbit[6]uril: A Possible Host for Noble Gas Atoms
Authors: S. Pan, S. Mandal, and P. K. Chattaraj Journal: J. Phys. Chem. B, (2015) 119, 10962. Year: 2015 Posted: 22 Dec 2018
Dynamical behavior of Borospherene: A Nanobubble
Authors: G. MartÃnez-Guajardo, J. L. Cabellos, A. DÃaz-Celaya, S. Pan, R. Islas, P. K. Chattaraj, T. Heine, and G. Merino Journal: Sci. Rep., (2015), 5, 11287. Year: 2015 Posted: 22 Dec 2018
Exploring the Nature of Silicon-Noble Gas Bonds in H3SiNgNSi and HSiNgNSi Compounds (Ng = Xe, Rn)
Authors: S. Pan, R. Saha, and P. K. Chattaraj Journal: Int. J. Mol. Sci., (2015) 16, 6402. Year: 2015 Posted: 22 Dec 2018
In Quest of a Superhalogen Supported Covalent Bond Involving a Noble Gas Atom
Authors: D. Chakraborty, and P. K. Chattaraj Journal: J. Phys. Chem. A, (2015) 119, 3064. Year: 2015 Posted: 22 Dec 2018
Scaling properties of information-theoretic quantities in density functional reactivity theory
Authors: C. Rong, T. Lu, P. W. Ayers, Pratim K. Chattaraj, and Shubin Liu Journal: Phys. Chem. Chem. Phys. (2015) 17, 4977. Year: 2015 Posted: 22 Dec 2018
Unique Bonding Pattern and Resulting Bond Stretch Isomerism in Be32-
Authors: T. Goswami, S. Paul, S. Mandal, A. Misra, A. Anoop, and P. K. Chattaraj Journal: Int. J. Quantum Chem. (2015) 115, 426. Year: 2015 Posted: 22 Dec 2018
Confinement induced binding in noble gas atoms within a BN-doped carbon nanotube
Authors: D. Chakraborty, and P. K. Chattaraj Journal: Chem. Phys. Lett. (2015) 621, 29. Year: 2015 Posted: 22 Dec 2018
Reactivity Dynamics of a Confined Molecule in Presence of an External Magnetic Field
Authors: M. Khatua, U. Sarkar, and P. K. Chattaraj Journal: Int. J. Quantum Chem. (2015) 115, 144. Year: 2015 Posted: 22 Dec 2018
Metastable behavior of Noble Gas inserted Tin and Lead Fluorides
Authors: S. Pan, A. Gupta, S. Mandal, D. Moreno, G. Merino, and P. K. Chattaraj Journal: Phys. Chem. Chem. Phys., (2015) 17, 972. Year: 2015 Posted: 22 Dec 2018
Bohmian trajectory from the "classical" Schrödinger equation
Authors: S. Sengupta, M. Khatua, and P. K. Chattaraj Journal: Chaos, (2014) 24, 043123. Year: 2014 Posted: 22 Dec 2018
Confinement of (HF)2 in Cn (n=60, 70, 80, 90) Cages
Authors: M. Khatua, S. Pan, and P. K. Chattaraj Journal: Chem. Phys. Lett. (2014) 616-617, 49. (The Editor has considered this paper to be a significant contribution to the field) Year: 2014 Posted: 22 Dec 2018
Host-Guest Interactions in ExBox4+
Authors: R. Das and P. K. Chattaraj Journal: ChemPhysChem (2014) 15, 4108. Year: 2014 Posted: 22 Dec 2018
Metals (copper) segregation in magmas
Authors: J.-L. Vigneresse, L. Truche, and P. K. Chattaraj Journal: Lithos, (2014) 208-209, 462. Year: 2014 Posted: 22 Dec 2018
"Quantitative Structure-Activity/Property/Toxicity Relationships through Conceptual Density Functional Theory based Reactivity Descriptors" in "Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment"
Authors: S. Pan, A. Gupta, V. Subramanian, and P. K. Chattaraj Journal: K. Roy (Ed.) IGI Global publisher, (2014) (in press). Year: 2014 Posted: 22 Dec 2018
The inorganic analogues of carbo-benzene
Authors: S. Jalife, M. Audiffred, R. Islas, S. Escalante, S. Pan, P. K. Chattaraj, and G. Merino Journal: Chem. Phys. Lett. (2014) 610-611, 209. (The Editor has considered this paper to be a significant contribution to the field) Year: 2014 Posted: 22 Dec 2018
Noble Gas Encapsulation: Clathrate Hydrates and their HF Doped Analogues
Authors: S. Mondal, and P. K. Chattaraj Journal: Phys. Chem. Chem. Phys., (2014) 16, 17943. Year: 2014 Posted: 22 Dec 2018
Movement of Ng2 Molecules Confined in a C60 Cage: An ab Initio Molecular Dynamics Study
Authors: M. Khatua, S. Pan, and P. K. Chattaraj Journal: Chem. Phys. Lett., (2014) 610-611, 351. (The Editor has considered this paper to be a significant contribution to the field) Year: 2014 Posted: 22 Dec 2018
`A conceptual DFT approach towards all-metal aromaticity and hydrogen storage` in `Handbook of Hydrogen Energy Vol. 2 Hydrogen storage, transmission, transportation and infrastructure`
Authors: R. Das, A. Chakraborty, S. Pan, and P. K. Chattaraj Journal: R. Gupta, A. Basile, N. Veziroglu, Rob Sitton (Eds.) Woodhead Publishing (2014) (in press). Year: 2014 Posted: 22 Dec 2018
Stability of the Noble Gas bound SiH3+ Clusters
Authors: S. Pan, D. Moreno, G. Merino, and P. K. Chattaraj Journal: ChemPhysChem (2014) 15, 3554. Year: 2014 Posted: 22 Dec 2018
Gas Storage Potential of ExBox4+ and its Li-decorated derivative
Authors: R. Das and P. K. Chattaraj Journal: Phys. Chem. Chem. Phys., 2014, 16, 21964. (Published as a cover article.) Year: 2014 Posted: 22 Dec 2018
On the Relationship among Ghosh-Berkowitz-Parr Entropy, Shannon Entropy and Fisher Information
Authors: C. Rong, T. Lu, P. K. Chattaraj, and S. Liu Journal: Ind. J. Chem., Sect. A, (2014) 53A, 970. (Special issue in the honor of Professor Swapan Kumar Ghosh on his sixty-fifth birth anniversary) Year: 2014 Posted: 22 Dec 2018
"Conceptual Density Functional Theory of Chemical Reactivity" in the ebook entitled "Advances in Mathematical Chemistry and Applications, Vol. 1"
Authors: P. K. Chattaraj, and D. R. Roy Journal: S. C. Basak, G. Restrepo, J. L. Villaveces (Eds.), Bentham Science Publishers, Sharjah, UAE, 2014. Year: 2014 Posted: 22 Dec 2018
Carbo-Cages: A Computational Study
Authors: J. M. Azpiroz, R. Islas, D. Moreno, M. A Fernández Herrera, S. Pan, P. K. Chattaraj, G. MartÃnez-Guajardo, J. M. Ugalde, and G. Merino Journal: J. Org. Chem. (2014) 79, 5463. Year: 2014 Posted: 22 Dec 2018
Chemical Reactivity through Structure-Stability Landscape
Authors: R. Das, J.-L. Vigneresse and P. K. Chattaraj Journal: Int. J. Quantum Chem. (2014) 114, 1421. (Published as a cover article.) Year: 2014 Posted: 22 Dec 2018
An ab Initio Study on the Stability of NgnBe2N2, NgnBe3N2, and NgBeSiN2 Clusters (Ng=He-Rn)
Authors: S. Pan, D. Moreno, J. L. Cabellos, G. Merino, and P. K. Chattaraj Journal: ChemPhysChem (2014) 15, 2618. Year: 2014 Posted: 22 Dec 2018
B182-: A Quasi-Planar Bowl Member of the Wankel Motor Family
Authors: D. Moreno, S. Pan, G. MartÃnez-Guajardo, L. L. Zeonjuk, R. Islas, E. Osorio, P. K Chattaraj, T. Heine, G. Merino Journal: Chem. Commun. (2014) 50, 8140. Year: 2014 Posted: 22 Dec 2018
Quantum Equivalence of a Driven Triple-well Van der Pol Oscillator: A QTM Study
Authors: D. Chakraborty, and P. K. Chattaraj Journal: Chem. Phys. (2014) 438, 7. Year: 2014 Posted: 22 Dec 2018
Confinement Induced Binding of Noble Gas Atoms
Authors: M. Khatua, S. Pan, and P. K. Chattaraj Journal: J. Chem. Phys. (2014) 140, 164306. Year: 2014 Posted: 22 Dec 2018
Guest-Host Interaction in an Aza Crown Analogue
Authors: R. Das and P. K. Chattaraj Journal: Int. J. Quantum Chem. (2014) 114, 708. Year: 2014 Posted: 22 Dec 2018
"Application of Conceptual Density Functional Theory in Developing QSAR Models and Their Usefulness in the Prediction of Biological Activity and Toxicity of Molecules" in "Chemometrics Applications and Research: QSAR in Medicinal Chemistry"
Authors: S. Pan, A. Gupta, D. R. Roy, R. K. Sharma, V. Subramanian, A. Mitra, and P. K. Chattaraj Journal: Eds. P. R. Duchowicz, P. M. Sivakumar, A. Mercader, Apple Academic Press, worldwide distributed by CRC Press, a Taylor & Francis Group, (2014) (in press). Year: 2014 Posted: 22 Dec 2018
Stability and structural dynamics of Be32- clusters
Authors: S. Mondal, and P. K. Chattaraj Journal: Chem. Phys. Lett. (2014) 593, 128. (The Editor has considered this paper to be a significant contribution to the field) Year: 2014 Posted: 22 Dec 2018
Reactivity Dynamics of Confined Atoms in the Presence of an External Magnetic Field
Authors: M. Khatua, U. Sarkar, and P. K. Chattaraj Journal: Eur. Phys. J. D, (2014) 68, 22. Year: 2014 Posted: 22 Dec 2018
DFT Study on the Ground State and Excited State Intramolecular Proton Transfer of Propargyl Arm Containing Schiff Bases in Solution and Gas Phases
Authors: B. Annaraj, S. Pan, M. A. Neelakantan, and P. K. Chattaraj Journal: Comput. Theor. Chem. (2014) 1028, 19. Year: 2014 Posted: 22 Dec 2018
A Molecular Dynamics Study on SI Hydrogen Hydrate
Authors: S. Mondal, S. Ghosh, and P. K. Chattaraj Journal: J. Mol. Model, (2013) 19, 2785 Year:Posted: 10 Apr 2019
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