A. Chakraborty

发表

Development of electron-proton density functionals for multicomponent density functional theory.

S. Hammes-Schiffer, A. Chakraborty, M. V. Pak, 2008, Physical review letters.

Probabilistic Multiscale Models for Fracture Analysis of Functionally Graded Composites

S. Rahman, A. Chakraborty, 2008 .

Evidence of Skewness and Sub-Gaussian Character in Temperature-Dependent Distributions of One Million Electronic Excitation Energies in PbS Quantum Dots.

Jeremy A Scher, N. Govind, A. Chakraborty, 2020, The journal of physical chemistry letters.

Stochastic multiscale models for fracture analysis of functionally graded materials

S. Rahman, A. Chakraborty, 2008 .

A parametric study on probabilistic fracture of functionally graded composites by a concurrent multiscale method

Sharif Rahman, Arindam Chakraborty, S. Rahman, 2009 .

Biological Activity and Toxicity: A Conceptual DFT Approach

P. Chattaraj, A. Chakraborty, S. Pan, 2013 .

Development of polaron-transformed explicitly correlated full configuration interaction method for investigation of quantum-confined Stark effect in GaAs quantum dots.

A. Chakraborty, Christopher J. Blanton, Christopher Brenon, 2012, The Journal of chemical physics.

Finite Kuramoto System with Shear and Symmetry

A. Chowdhury, A. Ray, A. Chakraborty, 2013 .

Combined valence bond-molecular mechanics potential-energy surface and direct dynamics study of rate constants and kinetic isotope effects for the H + C2H6 reaction.

D. Truhlar, Hai Lin, Yan Zhao, 2006, The Journal of chemical physics.

Zintl superalkalis as building blocks of supersalts

A. Chakraborty, S. Giri, A. V. Kumar, 2018, Journal of Molecular Modeling.

A stochastic micromechanical model for elastic properties of functionally graded materials

Sharif Rahman, S. Rahman, A. Chakraborty, 2007 .

Synthesis and characterization of Sr-doped HAp-incorporated polyether ether ketone composite

P. Datta, A. Chakraborty, Amit Roy Chowdhury, 2020 .

Study of interaction curves for composite laminate subjected to in-plane uniaxial and shear loadings

N. Iyengar, A. Chakraborty, 2004 .

An Understanding of the Origin of Chemical Reactivity from a Conceptual DFT Approach

P. Chattaraj, A. Chakraborty, S. Giri, 2012 .

Aromaticity in all-metal annular systems: the counter-ion effect.

P. Chattaraj, A. Chakraborty, P. Bultinck, 2011, Physical chemistry chemical physics : PCCP.

A new boson realization of fusion polynomial algebras in non-Hermitian quantum mechanics: γ-deformed su(2) generators, PT -symmetry in Fock space and Higgs algebra

A. Chakraborty, 2020, Journal of Physics A: Mathematical and Theoretical.

On a study of optically coupled memristive Chua circuits—rhythmogenesis and amplitude death

A. Chowdhury, A. Ray, A. Chakraborty, 2015 .

Deltahedral Organo-Zintl Superhalogens.

A. Chakraborty, S. Giri, R. Parida, 2018, Chemistry.

On the making of aromatic organometallic superalkali complexes.

A. Chakraborty, Anirban Ganguly, S. Giri, 2018, Chemical communications.

On a Relation among Bi-orthogonal system, Quadratic Non-Hermitian Boson operators with real spectrum and Partial PT symmetry in Fock Space

A. Chakraborty, 2022, 2206.01472.

Molecular clips form isostructural dimeric aggregates from benzene to water.

J. Fettinger, L. Isaacs, A. Wu, 2004, Journal of the American Chemical Society.

Aromaticity in Polyacenes and Their Structural Analogues

P. Chattaraj, A. Chakraborty, S. Pan, 2013 .

Investigation of Ionization Potential in Quantum Dots Using the Stratified Stochastic Enumeration of Molecular Orbitals Method

A. Chakraborty, Nicole Spanedda, Peter F McLaughlin, 2022, Journal of chemical theory and computation.

Decoupling and Coupling of the Host-Dopant Interaction by Manipulating Dopant Movement in Core/Shell Quantum Dots.

Joshua Wright, R. Meulenberg, A. Chakraborty, 2020, The journal of physical chemistry letters.

Effect of Dot Size on Exciton Binding Energy and Electron-Hole Recombination Probability in CdSe Quantum Dots.

Jennifer M. Elward, A. Chakraborty, 2013, Journal of chemical theory and computation.

Analyzing the efficiency of Mn–(C2H4) (M = Sc, Ti, Fe, Ni; n = 1, 2) complexes as effective hydrogen storage materials

P. Chattaraj, A. Chakraborty, S. Giri, 2010, 1009.0379.

Trapping of noble gases (He–Kr) by the aromatic H3+ and Li3+ species: a conceptual DFT approach

P. Chattaraj, A. Chakraborty, S. Giri, 2009, 0911.5381.

Construction of a Few Quantum Mechanical Hamiltonians via Lévy-Leblond Type Linearization: Clifford Momentum, Spinor States and Supersymmetry

A. Chakraborty, P. Banerjee, Bhaskar Debnath, 2022, Advances in Applied Clifford Algebras.

Quantum mechanical reaction rate constants by vibrational configuration interaction. Application to the OH + H2 Æ H2O + H reaction as a function of temperature

D. Truhlar, A. Chakraborty, 2004 .

Role of aromaticity and charge of a system in its hydrogen trapping potential and vice versa.

P. Chattaraj, A. Chakraborty, S. Bandaru, 2011, Physical chemistry chemical physics : PCCP.

Toward analyzing some neutral and cationic boron–lithium clusters (BxLiy x = 2–6; y = 1, 2) as effective hydrogen storage materials: A conceptual density functional study

P. Chattaraj, A. Chakraborty, S. Bandaru, 2012 .

Net reactivity index (Δω)

P. Chattaraj, A. Chakraborty, S. Giri, 2011 .

Eigenvalues of the Anti-periodic Calogero - Sutherland Model

A. Chakraborty, S. Ray, 2004, hep-th/0412200.

Design, synthesis and bioactivity of catechin/epicatechin and 2-azetidinone derived chimeric molecules.

S. Ghosh, A. Chakraborty, Basab Roy, 2009, Bioorganic & medicinal chemistry letters.

On the Regio and Stereo Selective Formylations of Acyclic Alpha Methylene Ketones towards Vilsmeier Haack Reagent

A. Chakraborty, J. Ray, 1995 .

Iodine transfer cyclization mediated by DIBAL-H/THF

A. Chakraborty, I. Marek, 1999 .

Molecular clips that undergo heterochiral aggregation and self-sorting.

J. Fettinger, L. Isaacs, A. Wu, 2002, Angewandte Chemie.

Methylene-bridged glycoluril dimers: synthetic methods.

J. Fettinger, L. Isaacs, A. Wu, 2002, The Journal of organic chemistry.

Diastereoselective formation of glycoluril dimers: isomerization mechanism and implications for cucurbit[n]uril synthesis.

J. Fettinger, L. Isaacs, A. Wu, 2002, Journal of the American Chemical Society.

Iodine Transfer Cyclization Mediated by DIBAL-H/THF.

A. Chakraborty, I. Marek, 2010 .

Some novel molecular frameworks involving representative elements.

P. Chattaraj, A. Chakraborty, S. Mondal, 2012, Physical chemistry chemical physics : PCCP.

Structure, bonding, reactivity and aromaticity of some selected Zn-clusters

P. Chattaraj, A. Chakraborty, S. Giri, 2009 .

Development of effective stochastic potential method using random matrix theory for efficient conformational sampling of semiconductor nanoparticles at non-zero temperatures.

Shikha Nangia, Arindam Chakraborty, Jeremy A Scher, 2018, The Journal of chemical physics.

Determination of electron-hole correlation length in CdSe quantum dots using explicitly correlated two-particle cumulant

A. Chakraborty, Christopher J. Blanton, 2014, 1406.0039.

Gauge momentum operators for the Calogero-Sutherland model with anti-periodic boundary condition

A. Chakraborty, S. Ray, J. Shamanna, 2006, hep-th/0607108.

Differences in phase, microstructural, and electrical characteristics of quartz-substituted alumina porcelain insulator

Swapan Das, A. Chakraborty, Sudipta Saha, 2020, Journal of the Australian Ceramic Society.

Investigation of electron–hole correlation using explicitly correlated configuration interaction method

Jennifer M. Elward, A. Chakraborty, Jacob Hoffman, 2012 .

Density functional theory treatment of electron correlation in the nuclear-electronic orbital approach.

A. Chakraborty, M. V. Pak, S. Hammes‐Schiffer, 2007, The journal of physical chemistry. A.

Studies on furoterpenes: Stereoselective total synthesis of (±)-Ambliol-A and Dendrolasin

A. Chakraborty, J. Ray, G. K. Kar, 1997 .

Synthetic studies towards furosesquiterpenes: Construction of linearly-fused trans- and cis-furo[3,2-b]-and furo[2,3-b] decalins

A. Chakraborty, J. Ray, G. K. Kar, 1997 .

Vibrational configuration interaction using a tiered multimode scheme and tests of approximate treatments of vibrational angular momentum coupling: a case study for methane.

D. Truhlar, A. Chakraborty, S. L. Mielke, 2013, The journal of physical chemistry. A.

Photodissociation of LiFH and NaFH van der Waals complexes: A semiclassical trajectory study

P. Piecuch, D. Truhlar, Michael D. Hack, 2001 .

New One-Pot Synthesis of ò-Iodoalkyne

A. Chakraborty, I. Marek, 2000 .

Calculation of electron-hole recombination probability using explicitly correlated Hartree-Fock method.

Jennifer M. Elward, A. Chakraborty, Barbara Thallinger, 2012, The Journal of chemical physics.

Variational solution of the congruently transformed Hamiltonian for many-electron systems using a full-configuration-interaction calculation

Jennifer M. Elward, A. Chakraborty, Johannes Hoja, 2012, 1211.3213.

Stochastic multiscale fracture analysis of three-dimensional functionally graded composites

Sharif Rahman, Arindam Chakraborty, S. Rahman, 2011 .

Probabilistic Fracture of Functionally Graded Materials Using Multiscale Models

S. Rahman, A. Chakraborty, 2008 .

Compact real-space representation of excited states using frequency-dependent explicitly-correlated electron-hole interaction kernel.

A. Chakraborty, Peter F McLaughlin, 2020, Journal of chemical theory and computation.

Infinite-order diagrammatic summation approach to the explicitly correlated congruent transformed Hamiltonian

A. Chakraborty, Michael G. Bayne, J. Drogo, 2013, 1306.2446.

Inclusion of explicit electron-proton correlation in the nuclear-electronic orbital approach using Gaussian-type geminal functions.

A. Chakraborty, M. V. Pak, S. Hammes‐Schiffer, 2008, The Journal of chemical physics.

Explicit dynamical electron-proton correlation in the nuclear-electronic orbital framework.

A. Chakraborty, M. V. Pak, S. Hammes‐Schiffer, 2006, The journal of physical chemistry. A.

Finite element and experimental analysis to select patient's bone condition specific porous dental implant, fabricated using additive manufacturing

Subhas Chandra Mondal, Arindam Chakraborty, Pallab Datta, 2020, Comput. Biol. Medicine.

Bi-orthogonal eigen-spinors related to T-pseudo-Hermitian Pauli Hamiltonian : Time reversal and Clifford Algebra

A. Chakraborty, 2022, 2212.02069.

Conceptual density functional theory (DFT) approach to all-metal aromaticity and hydrogen storage

P. Chattaraj, A. Chakraborty, S. Pan, 2016 .

Development of the Multicomponent Coupled-Cluster Theory for Investigation of Multiexcitonic Interactions.

Benjamin H. Ellis, A. Chakraborty, Somil Aggarwal, 2016, Journal of chemical theory and computation.

Effect of heterojunction on exciton binding energy and electron-hole recombination probability in CdSe/ZnS quantum dots.

Jennifer M. Elward, A. Chakraborty, 2015, Journal of chemical theory and computation.

Shape Matters: Effect of 1D, 2D, and 3D Isovolumetric Quantum Confinement in Semiconductor Nanoparticles

Jennifer M. Elward, Jeremy A Scher, A. Chakraborty, 2016 .

Development of polaron-transformed explicitly correlated full conguration interaction method for investigation of quantum-conned Stark eect in

A. Chakraborty, Christopher J. Blanton, Christopher Brenon, 2014 .

A conceptual density functional study of structure, bonding, reactivity and the possibility of bond-stretch isomerism in some neutral sulfur clusters, S n (n=3–8)

P. Chattaraj, A. Chakraborty, S. Giri, 2010 .

Modeling Ecotoxicity as Applied to some Selected Aromatic Compounds: A Conceptual DFT Based Quantitative-Structure-Toxicity-Relationship (QSTR) Analysis

Venkatesan Subramanian, Pratim K. Chattaraj, Arindam Chakraborty, 2012 .

Net electrophilicity.

P. Chattaraj, A. Chakraborty, S. Giri, 2009, The journal of physical chemistry. A.

Exploring an intermolecular Ge/B frustrated Lewis pair from a multicentre Zintl Lewis base

A. Chakraborty, S. Giri, Swapan Sinha, 2023, Theoretical Chemistry Accounts.

Properties of the exact universal functional in multicomponent density functional theory.

A. Chakraborty, M. V. Pak, S. Hammes‐Schiffer, 2009, The Journal of chemical physics.

Unique reactivity of B in B[Ge9Y3]3 (Y = H, CH3, BO, CN): formation of a Lewis base.

P. Jena, A. Chakraborty, S. Giri, 2019, Physical chemistry chemical physics : PCCP.

Dipole Correlation of the Electronic Structures of theConformations of Water Molecule Evolving Through theNormal Modes of Vibrations Between Angular (C2v) to Linear(D∝h) Shapes

D. C. Ghosh, A. Chakraborty, 2006 .

Crystal and molecular structure of 2-thiobenzylazobenzene (C 19 H 16 N 2 S)

S. Karmakar, A. Chakraborty, B. Deka, 2009 .

Bonding, aromaticity, and structure of trigonal dianion metal clusters

Arindam Chakraborty, Venkatesan Subramanian, Pratim Kumar Chattaraj, 2009, J. Comput. Chem..

Quantum mechanical reaction rate constants by vibrational configuration interaction: the OH + H2->H2O + H reaction as a function of temperature.

D. Truhlar, A. Chakraborty, 2005, Proceedings of the National Academy of Sciences of the United States of America.

Investigation of dense manifold of particle-hole excitations in metallic nanowires using r12-correlated frequency-dependent electron-hole interaction kernel

A. Chakraborty, Peter F McLaughlin, 2020, 2010.07635.

An Affordable Topography-Based Protocol for Assigning a Residue's Character on a Hydropathy (PARCH) Scale.

S. Nangia, A. Chakraborty, Jingjing Ji, 2023, Journal of chemical theory and computation.

Converged vibrational energy levels and quantum mechanical vibrational partition function of ethane.

D. Truhlar, A. Chakraborty, 2006, The Journal of chemical physics.

Calculation of converged rovibrational energies and partition function for methane using vibrational-rotational configuration interaction.

Donald G Truhlar, Joel M Bowman, Arindam Chakraborty, 2004, The Journal of chemical physics.

Development of composite control-variate stratified sampling approach for efficient stochastic calculation of molecular integrals

A. Chakraborty, Michael G. Bayne, 2018, 1804.01197.

Potential use of some metal clusters as hydrogen storage materials—a conceptual DFT approach

P. Chattaraj, A. Chakraborty, S. Giri, 2011, Journal of molecular modeling.

Non-ionic fluorinated amphiphilic block copolymer via RAFT polymerization and their application as surfactant in emulsion polymerization

A. Chakraborty, R. Nath, L. Singh, 2018 .

Optical Signature of Formation of Protein Corona in the Firefly Luciferase-CdSe Quantum Dot Complex.

Jennifer M. Elward, F. J. Irudayanathan, S. Nangia, 2014, Journal of chemical theory and computation.

Investigation of Many-Body Correlation in Biexcitonic Systems Using Electron–Hole Multicomponent Coupled-Cluster Theory

Benjamin H. Ellis, A. Chakraborty, 2017 .

Process parameter optimization of Al/SiC metal matrix composites during ultrasonic machining process

A. Chakraborty, D. Dhupal, Bikash Banerjee, 2021, E3S Web of Conferences.

Derivation of time-dependent transition probability for $2\mathrm{e}-2\mathrm{h}$ generation from $1\mathrm{e}-1\mathrm{h}$ state in the presence of external electromagnetic field

A. Chakraborty, Michael G. Bayne, 2017, 1704.02428.

A NOVEL GRAPHENE OXIDE-PARA AMINO BENZOIC ACID NANOSHEET AS EFFECTIVE DRUG DELIVERY SYSTEM TO TREAT DRUG RESISTANT BACTERIA

D. Ghosh, S. Ghosh, A. Chakraborty, 2010 .

Hydrogen Storage: An Overview with Current Insights Based on a Conceptual DFT Approach

P. Chattaraj, A. Chakraborty, S. Duley, 2012 .

Mechanical response at peri-implant mandibular bone for variation of pore characteristics of implants: A Finite Element Study.

P. Datta, A. Chowdhury, A. Chakraborty, 2019, Acta of bioengineering and biomechanics.

Bi-orthogonal spinors associated to T -pseudo-Hermitian Rashba Hamiltonian : Time reversal in Clifford Algebra Cl3(R) and Pseudo-Supersymmetry

A. Chakraborty, 2023, 2304.08097.

Bioprinting of radiopaque constructs for tissue engineering and understanding degradation behavior by use of Micro-CT

P. Datta, S. Datta, A. Chowdhury, 2020, Bioactive materials.

Density matrix formulation of the nuclear-electronic orbital approach with explicit electron-proton correlation.

A. Chakraborty, S. Hammes‐Schiffer, 2008, The Journal of chemical physics.

Thermal stability and fire retardancy of polyurea and epoxy nanocomposites using organically modified magadiite

C. A. Wilkie, A. Chakraborty, Deqi Yi, 2014 .

A New Class of Superhalogen Based Anion Receptor in Li-Ion Battery Electrolytes

Arindam Chakraborty, Rakesh Parida, Santanab Giri, 2019, J. Chem. Inf. Model..

Understanding Partial PT Symmetry as Weighted Composition Conjugation in Reproducing Kernel Hilbert Space: An application to Non-hermitian Bose-Hubbard Type Hamiltonian in Fock space

A. Chakraborty, 2021 .

Development of effective stochastic potential method using random matrix theory for efficient conformational sampling of semiconductor nanoparticles at non-zero temperatures.

Jeremy A Scher, S. Nangia, A. Chakraborty, 2018, The Journal of chemical physics.

A Localized Molecular Orbital Study of the Structure and Bonding of Ozone.

D. C. Ghosh, A. Chakraborty, 2002 .

Some novel molecular frameworks involving representative elements.

P. Chattaraj, A. Chakraborty, S. Mondal, 2012, Physical chemistry chemical physics : PCCP.

Toxicity of Halogen, Sulfur and Chlorinated Aromatic Compounds: A Quantitative-Structure-Toxicity-Relationship (QSTR)

Arindam Chakraborty, Venkatesan Subramanian, Pratim Kumar Chattaraj, 2011, Int. J. Chemoinformatics Chem. Eng..

Understanding Partial $\mathcal {P}\mathcal {T}$ Symmetry as Weighted Composition Conjugation in Reproducing Kernel Hilbert Space: An application to Non-hermitian Bose-Hubbard Type Hamiltonian in Fock space

Arindam Chakraborty, A. Chakraborty, 2020, International Journal of Theoretical Physics.