A. Panda

发表

Insights into the Excited-State Processes in 1-Hydroxy-2-acetonaphthone at ADC(2) and CASSCF Levels.

Ibanrishisha Mawa, A. Panda, 2021, The journal of physical chemistry. A.

Effect of Terminal Fluorination on Chiroptical Properties of Carbo[5-8]helicenes: A Systematic Computational Study at the RI-ADC(2) Level.

A. Panda, Bishwanath Mahato, 2023, The journal of physical chemistry. A.

Effects of Heterocyclic Ring Fusion and Chain Elongation on Chiroptical Properties of Polyaza[9]helicene: A Computational Study.

A. Panda, Bishwanath Mahato, 2022, The journal of physical chemistry. A.

Excited state processes in nitrile-substituted 2-(oxazolinyl)-phenols in gas and implicit solvents: A computational study

A. N. Panda, Ibanrishisha Mawa, A. Panda, 2022, Chemical Physics Letters.

Excited States in RED/Near Infrared Region TADF Molecules: TDDFT vs ADC(2)

B. Mishra, A. Panda, Shaivi Kesari, 2022, Chemical Physics Letters.

Multiconfiguration time-dependent Hartree approach to study the OH + H2 reaction.

H. Meyer, S. Bhattacharya, A. N. Panda, 2010, The Journal of chemical physics.

Helical and Nonhelical Structures of Vinylene- and Azomethine-Linked Heterocyclic Oligomers: A Computational Study of Conformation-Dependent Optoelectronic Properties

Harikrishna Sahu, A. N. Panda, A. Panda, 2015 .

Ab initio electronic structure investigation of protonated mixed rare gas dimers [NeHHe]+, [ArHHe]+ and [ArHNe]+

Debasish Koner, A. N. Panda, A. Vats, 2012 .

Assessing Effects of Different π bridges on Properties of Random Benzodithiophene-thienothiophene Donor and Non-fullerene Acceptor Based Active Layer.

Mohd Shavez, A. Panda, 2021, The journal of physical chemistry. A.

Effect of fluorination of the donor unit on the properties of benzodithiophene-triazole based donor-acceptor systems for polymer solar cells: A computational investigation

J. Goswami, Mohd Shavez, A. Panda, 2019, Computational and Theoretical Chemistry.

Computational investigation of charge injection and transport properties of a series of thiophene-pyrrole based oligo-azomethines.

Harikrishna Sahu, A. Panda, 2014, Physical chemistry chemical physics : PCCP.

A state-to-state dynamical study of the Br + H2 reaction: comparison of quantum and classical trajectory results.

S. Althorpe, F. J. Aoiz, P. G. Jambrina, 2012, Physical chemistry chemical physics : PCCP.

Quantum wave packet study of the H + HBr → H2 + Br reaction

S. Althorpe, A. Panda, 2007 .

Scattering study of the Ne + NeH(+)(v0 = 0, j0 = 0) → NeH(+) + Ne reaction on an ab initio based analytical potential energy surface.

Debasish Koner, T. González-Lezana, L. Barrios, 2016, The Journal of chemical physics.

Full dimensional quantum scattering study of the H2 + CN reaction#

H. Meyer, S. Bhattacharya, A. N. Panda, 2012, Journal of Chemical Sciences.

Cross sections and rate constants for OH + H2 reaction on three different potential energy surfaces for ro-vibrationally excited reagents.

H. Meyer, S. Bhattacharya, A. Panda, 2011, The Journal of chemical physics.

Rovibrational energy transfer in ortho-H2+para-H2 collisions.

Hans-Dieter Meyer, Frank Otto, Fabien Gatti, 2007, The Journal of chemical physics.

Electronically Excited States in Poly(p-phenylenevinylene): Vertical Excitations and Torsional Potentials from High-Level Ab Initio Calculations

Hans Lischka, Irene Burghardt, Felix Plasser, 2013, The journal of physical chemistry. A.

Alternating phenylene and furan/pyrrole/thiophene units-based oligomers: A computational study of the structures and optoelectronic properties

Rishabh Shukla, Harikrishna Sahu, A. N. Panda, 2018 .

Structure and optoelectronic properties of helical pyridine-furan, pyridine-pyrrole and pyridine-thiophene oligomers.

Harikrishna Sahu, A. N. Panda, Shashwat Gupta, 2015, Physical chemistry chemical physics : PCCP.

Hybrid Formulation of Cu Nanoparticles and Labdane Diterpene from Alpinia Nigra: a Vibrational Spectroscopic Study

L. Rangan, A. Khare, A. N. Panda, 2018, Journal of Applied Spectroscopy.

Dynamics of (H−,H2) collisions: A time-dependent quantum mechanical investigation on a new ab initio potential energy surface

N. Sathyamurthy, A. N. Panda, A. Panda, 2004 .

Coherent Excitation Transfer Driven by Torsional Dynamics: a Model Hamiltonian for PPV Type Systems

F. Sterpone, I. Burghardt, R. Martinazzo, 2011 .

Structural Characterization, In Silico Studies and In Vitro Antibacterial Evaluation of a Furanoflavonoid from Karanj

L. Rangan, A. Khare, I. Jahan, 2016, Planta Medica Letters.

Computational Study on the Effect of Substituents on the Structural and Electronic Properties of Thiophene–Pyrrole-Based π-Conjugated Oligomers

Harikrishna Sahu, A. N. Panda, A. Panda, 2013 .

Atom–Diatom Reactive Scattering Collisions in Protonated Rare Gas Systems

Debasish Koner, T. González-Lezana, L. Barrios, 2021, Molecules.

State-to-State Dynamics of the Ne + HeH(+) (v = 0, j = 0) → NeH(+)(v', j') + He Reaction.

Debasish Koner, T. González-Lezana, L. Barrios, 2016, The journal of physical chemistry. A.

Reaction probabilities and reaction cross sections for three-dimensional He+H2+(v) collisions: A time-dependent quantum mechanical study

B. Maiti, N. Sathyamurthy, C. Kalyanaraman, 2002 .

Prediction of interaction energy for rare gas dimers using machine learning approaches

Pavan Kumar Perepu, A. Panda, Brijesh Kumar Mishra, 2023, Journal of Chemical Sciences.

Halogenation of the Side Chains in Donor‐Acceptor Based Small Molecules for Photovoltaic Applications: Energetics and Charge‐Transfer Properties from DFT/TDDFT Studies

A. K. Ray, Mohd Shavez, A. Panda, 2021 .

Wave packet and statistical quantum calculations for the He + NeH⁺ → HeH⁺ + Ne reaction on the ground electronic state.

Debasish Koner, T. González-Lezana, L. Barrios, 2014, The Journal of chemical physics.

Time-dependent quantum dynamics of the He + H+He reaction

S. Bhattacharya, A. Panda, 2009 .

Mimicking the Heteroleptic Dyes for an Efficient 1D-ZnO Based Dye-Sensitized Solar Cell Using the Homoleptic Ruthenium(II) Dipyridophenazine Complex as a Photosensitizer

M. Qureshi, A. Banik, Dipankar Barpuzary, 2015 .

Effects of π-bridge units on the properties of donor-π-acceptor type benzodithiophene-thienothiophene based polymers for organic solar cells

Mohd Shavez, A. Panda, 2020 .

Time-dependent quantum mechanical wave packet study of the He+H(2) (+)(v,j)-->HeH(+)+H reaction.

N. Sathyamurthy, A. N. Panda, A. Panda, 2005, The Journal of chemical physics.

Conformational Effect on the Excitonic States of 2-Phenylpyridine Oligomers: Ab Initio Studies and Analysis.

A. Panda, Palak Mandal, 2023, Journal of Physical Chemistry A.

Theoretical Investigation of the E/Z Photoisomerization Pathway in 1-(2-Pyrrolyl)-2-(2-thienyl)ethylene.

Ibanrishisha Mawa, A. Panda, 2023, The journal of physical chemistry. A.

Assessing the Performance of DFT Functionals for Excited-State Properties of Pyridine-Thiophene Oligomers.

A. Panda, Bishwanath Mahato, 2020, The journal of physical chemistry. A.

Improved Estimates of Host-Guest Interaction Energies for Endohedral Fullerenes Containing Rare Gas Atoms, Small Molecules, and Cations.

B. Mishra, Ramanathan Venkatnarayan, Arti Saroj, 2022, Chemphyschem : a European journal of chemical physics and physical chemistry.

Amine-Anchored Nanoscale Covalent-Organic Framework for Detecting Kynurenine and Mitoxantrone from Biofluids and Environmental Water

Subhrajyoti Ghosh, Abhijeet Rana, A. Panda, 2024, ACS Applied Polymer Materials.