| Year |
Citation |
Score |
| 2020 |
Ghosh K, Sharma R, Chaudhury P. Structure elucidation and construction of isomerisation pathways in small to moderate-sized (6-27) MgO nanoclusters: an adaptive mutation simulated annealing based analysis with quantum chemical calculations. Physical Chemistry Chemical Physics : Pccp. PMID 32324181 DOI: 10.1039/C9Cp06947J |
0.545 |
|
| 2020 |
Mirdha RH, Naskar P, Chaudhury P. Constructing transformation paths for conformational changes in (MgF2)n clusters using a stochastic procedure Molecular Physics. 118. DOI: 10.1080/00268976.2019.1645368 |
0.331 |
|
| 2020 |
Mirdha RH, Naskar P, Chaudhury P. Structural transformation in $$(\hbox {MgO})_{{{n}}}$$(MgO)n clusters using a gradient-only strategy and its comparison with a full Hessian-based calculation Indian Journal of Physics. 1-10. DOI: 10.1007/S12648-020-01724-4 |
0.411 |
|
| 2020 |
Ghorai S, Naskar P, Chaudhury P. Construction of elementary reaction paths of pure and mixed Argon-Xenon clusters : a parallel tempering based study Structural Chemistry. 1-11. DOI: 10.1007/S11224-019-01486-8 |
0.414 |
|
| 2020 |
Ghorai S, Naskar P, Chaudhury P. An investigation on the structure, spectroscopy, and thermodynamic aspects of clusters: A combined Parallel tempering and DFT based study International Journal of Quantum Chemistry. 120. DOI: 10.1002/Qua.26270 |
0.359 |
|
| 2018 |
Ghorai S, Naskar P, Chaudhury P. Role of the vibrational contribution in Coulomb explosion of dicationic neon gas clusters: a parallel tempering based study. Physical Chemistry Chemical Physics : Pccp. 20: 22379-22386. PMID 30129648 DOI: 10.1039/C8Cp03779E |
0.392 |
|
| 2018 |
Ghorai S, Chaudhury P. Predicting stability limits for pure and doped dicationic noble gas clusters undergoing coulomb explosion: A parallel tempering based study. Journal of Computational Chemistry. 39: 827-838. PMID 29282763 DOI: 10.1002/Jcc.25156 |
0.362 |
|
| 2018 |
Naskar P, Roy R, Talukder S, Chaudhury P. Structural, spectroscopic and thermodynamic aspects of azide–water clusters: an approach using a conjugated prescription of stochastic and quantum chemical methods Molecular Physics. 116: 2172-2186. DOI: 10.1080/00268976.2018.1465605 |
0.403 |
|
| 2018 |
Mirdha RH, Naskar P, Chaudhury P. Mapping out reaction paths for conformational changes in ( M g O ) n clusters: a study based on a stochastic procedure Structural Chemistry. 29: 523-532. DOI: 10.1007/S11224-017-1049-1 |
0.405 |
|
| 2017 |
Ghosh S, Mukherjee S, Mukherjee B, Mandal S, Sharma R, Chaudhury P, Adhikari S. Beyond Born-Oppenheimer theory for ab initio constructed diabatic potential energy surfaces of singlet H3(+) to study reaction dynamics using coupled 3D time-dependent wave-packet approach. The Journal of Chemical Physics. 147: 074105. PMID 28830157 DOI: 10.1063/1.4998406 |
0.645 |
|
| 2017 |
Naskar P, Talukder S, Chaudhury P. An adaptive mutation simulated annealing based investigation of Coulombic explosion and identification of dissociation patterns in (CO2)n(2+) clusters. Physical Chemistry Chemical Physics : Pccp. PMID 28349145 DOI: 10.1039/C7Cp00655A |
0.357 |
|
| 2017 |
Talukder S, Chaudhury P, Adhikari S. Selective bond dissociation of HOD molecule by optimally designed polychromatic IR+UV pulse: a genetic-algorithm-based study Molecular Physics. 115: 1786-1796. DOI: 10.1080/00268976.2016.1277591 |
0.603 |
|
| 2017 |
Mirdha RH, Chaudhury P. Constructing a bunch of paths for conformational changes in size specific noble gas cluster: a study using a stochastic procedure Journal of Mathematical Chemistry. 55: 1916-1933. DOI: 10.1007/S10910-017-0771-7 |
0.395 |
|
| 2017 |
Talukder S, Chaudhury P, Ghosh S. Simulated annealing‐based optimal control over tunneling process through SDWP and Eckart barrier: A momentum basis representation International Journal of Quantum Chemistry. 117. DOI: 10.1002/Qua.25388 |
0.329 |
|
| 2016 |
Naskar P, Chaudhury P. An investigation on the structure, spectroscopy and thermodynamic aspects of Br2((-))(H2O)n clusters using a conjunction of stochastic and quantum chemical methods. Physical Chemistry Chemical Physics : Pccp. 18: 16245-57. PMID 27251059 DOI: 10.1039/C6Cp01960A |
0.426 |
|
| 2016 |
Naskar P, Chaudhury P. An investigation on the structure, spectroscopy and thermodynamic aspects of Br2(-)(H2O): N clusters using a conjunction of stochastic and quantum chemical methods Physical Chemistry Chemical Physics. 18: 16245-16257. DOI: 10.1039/c6cp01960a |
0.32 |
|
| 2016 |
Naskar P, Chaudhury P. Structural and spectroscopic studies of iodine dimer radical anion hydrated clusters: An approach using a combination of stochastic and quantum chemical methods Rsc Advances. 6: 12315-12325. DOI: 10.1039/C5Ra19763E |
0.44 |
|
| 2015 |
Talukder S, Sen S, Shandilya BK, Sharma R, Chaudhury P, Adhikari S. Enhancing the branching ratios in the dissociation channels for O(16)O(16)O(18) molecule by designing optimum laser pulses: A study using stochastic optimization. The Journal of Chemical Physics. 143: 144109. PMID 26472365 DOI: 10.1063/1.4932333 |
0.604 |
|
| 2015 |
Ghosh S, Talukder S, Sen S, Chaudhury P. Optimised polychromatic field-mediated suppression of H-atom tunnelling in a coupled symmetric double well: two-dimensional malonaldehyde model Molecular Physics. DOI: 10.1080/00268976.2015.1068393 |
0.309 |
|
| 2015 |
Neogi SG, Chaudhury P. Structure, electronic properties and vibrational spectra of (MgF2)n clusters through a combination of genetic algorithm and DFT-based approach Molecular Physics. 113: 3729-3739. DOI: 10.1080/00268976.2015.1059508 |
0.428 |
|
| 2014 |
Neogi SG, Das A, Chaudhury P. Investigation of plausible mechanistic pathways in hydrogenation of η5-(C5H5)2Ta(H)=CH2: an analysis using DFT and AIM techniques Journal of Molecular Modeling. 20: 2132. PMID 24549793 DOI: 10.1007/S00894-014-2132-9 |
0.304 |
|
| 2014 |
Ganguly Neogi S, Chaudhury P. Structural, spectroscopic aspects, and electronic properties of (TiO2)n clusters: a study based on the use of natural algorithms in association with quantum chemical methods. Journal of Computational Chemistry. 35: 51-61. PMID 24272539 DOI: 10.1002/Jcc.23465 |
0.455 |
|
| 2014 |
Talukder S, Sen S, Sharma R, Banik SK, Chaudhury P. A generalized recipe to construct elementary or multi-step reaction paths via a stochastic formulation: Application to the conformational change in noble gas clusters Chemical Physics. 431: 5-14. DOI: 10.1016/J.Chemphys.2013.12.010 |
0.548 |
|
| 2014 |
Ganguly Neogi S, Chaudhury P. Structural and spectroscopic studies of water-alkaline earth ion micro clusters: An alternate approach using genetic algorithm in conjunction with quantum chemical methods Indian Journal of Physics. 88: 781-793. DOI: 10.1007/S12648-014-0478-6 |
0.419 |
|
| 2014 |
Guha S, Neogi SG, Chaudhury P. Study of structure and spectroscopy of water-hydroxide ion clusters: A combined simulated annealing and DFT-based approach Journal of Chemical Sciences. 126: 659-675. DOI: 10.1007/S12039-014-0613-0 |
0.436 |
|
| 2014 |
Neogi SG, Chaudhury P. Structure, spectroscopy and electronic properties of neutral lattice-like (MgO) n clusters: A study based on a blending of DFT with stochastic algorithms inspired by natural processes Structural Chemistry. 25: 1229-1244. DOI: 10.1007/S11224-014-0394-6 |
0.454 |
|
| 2014 |
Neogi SG, Talukder S, Chaudhury P. Structural and spectroscopic studies of carbon dioxide clusters: A combined genetic algorithm and DFT based study Structural Chemistry. 25: 909-918. DOI: 10.1007/S11224-013-0360-8 |
0.454 |
|
| 2014 |
Biring SK, Sharma R, Chaudhury P. A new adaptive mutation simulated annealing algorithm: Application to the study of pure and mixed Pt-Pd clusters Journal of Mathematical Chemistry. 52: 368-397. DOI: 10.1007/S10910-013-0268-Y |
0.517 |
|
| 2014 |
Ganguly Neogi S, Chaudhury P. Structural, spectroscopic aspects, and electronic properties of (TiO 2)n clusters: A study based on the use of natural algorithms in association with quantum chemical methods Journal of Computational Chemistry. 35: 51-61. DOI: 10.1002/jcc.23465 |
0.36 |
|
| 2013 |
Talukder S, Sen S, Neogi SG, Chaudhury P. A parallel tempering based study of Coulombic explosion and identification of dissociating fragments in charged noble gas clusters. The Journal of Chemical Physics. 139: 164312. PMID 24182034 DOI: 10.1063/1.4825404 |
0.379 |
|
| 2013 |
Shandilya BK, Sen S, Sahoo T, Talukder S, Chaudhury P, Adhikari S. Selective bond breaking mediated by state specific vibrational excitation in model HOD molecule through optimized femtosecond IR pulse: a simulated annealing based approach. The Journal of Chemical Physics. 139: 034310. PMID 23883030 DOI: 10.1063/1.4813127 |
0.58 |
|
| 2013 |
Neogi SG, Chaudhury P. Structure and spectroscopic aspects of water-halide ion clusters: A study based on a conjunction of stochastic and quantum chemical methods Journal of Computational Chemistry. 34: 471-491. PMID 23065798 DOI: 10.1002/Jcc.23156 |
0.398 |
|
| 2013 |
Ghosh S, Talukder S, Sen S, Chaudhury P. Coherent destruction of tunneling with optimally designed polychromatic external field Chemical Physics. 425: 73-79. DOI: 10.1016/J.Chemphys.2013.07.021 |
0.307 |
|
| 2013 |
Sen S, Talukder S, Chaudhury P. Optimal designing of polychromatic field for maximum dissociation of LiH molecule Indian Journal of Physics. 87: 865-872. DOI: 10.1007/S12648-013-0307-3 |
0.337 |
|
| 2013 |
Talukder S, Sen S, Metzler R, Banik SK, Chaudhury P. Stochastic optimization-based study of dimerization kinetics Journal of Chemical Sciences. 125: 1619-1627. DOI: 10.1007/S12039-013-0502-Y |
0.351 |
|
| 2013 |
Biring SK, Sharma R, Misra R, Chaudhury P. Structural and Infra Red Spectroscopic Aspects of Ion-Water Clusters: A Study Based on a Combined Stochastic and Quantum Chemical Approach Journal of Cluster Science. 24: 715-737. DOI: 10.1007/S10876-013-0565-4 |
0.689 |
|
| 2012 |
Neogi SG, Chaudhury P. Structure and spectroscopy of water-fluoride microclusters: a combined genetic algorithm and DFT-based study. Journal of Computational Chemistry. 33: 629-39. PMID 22183733 DOI: 10.1002/Jcc.21994 |
0.437 |
|
| 2012 |
Biring SK, Chaudhury P. A comparative study on full diagonalization of Hessian matrix and Gradient-only technique to trace out reaction path in doped noble gas clusters using stochastic optimization Chemical Physics. 400: 198-206. DOI: 10.1016/J.Chemphys.2012.04.006 |
0.412 |
|
| 2012 |
Neogi SG, Chaudhury P. Structure and spectroscopy of water-fluoride microclusters: A combined genetic algorithm and DFT-based study Journal of Computational Chemistry. 33: 629-639. DOI: 10.1002/jcc.21994 |
0.337 |
|
| 2011 |
Talukder S, Chaudhury P, Metzler R, Banik SK. Determining the DNA stability parameters for the breathing dynamics of heterogeneous DNA by stochastic optimization Journal of Chemical Physics. 135. PMID 22047268 DOI: 10.1063/1.3654958 |
0.311 |
|
| 2011 |
Sharma R, Nandy S, Chaudhury P, Bhattacharyya SP. A density-genetic algorithm method for computing electronic structures of doped and undoped polythiophene oligomers: A modified su-schrieffer-heeger hamiltonian-based study Materials and Manufacturing Processes. 26: 354-362. DOI: 10.1080/10426914.2010.526976 |
0.508 |
|
| 2011 |
Guha S, Ray S, Chaudhury P. Study of coulomb explosion and dissociation channels in dicationic argon clusters: A study based on stochastic optimization Structural Chemistry. 22: 1007-1014. DOI: 10.1007/S11224-011-9796-X |
0.376 |
|
| 2010 |
Nandy S, Chaudhury P, Bhattacharyya SP. Coulomb explosion in dicationic noble gas clusters: a genetic algorithm-based approach to critical size estimation for the suppression of Coulomb explosion and prediction of dissociation channels. The Journal of Chemical Physics. 132: 234104. PMID 20572686 DOI: 10.1063/1.3439690 |
0.392 |
|
| 2010 |
Guha S, Chaudhury P. Locating critical points and constructing reaction paths in noble gas clusters: A simulated annealing based study Journal of Molecular Structure: Theochem. 945: 12-16. DOI: 10.1016/J.Theochem.2009.12.045 |
0.413 |
|
| 2010 |
Biring SK, Chaudhury P. A stochastic optimization method based technique for finding out reaction paths in noble gas clusters perturbed by alkali metal ions Chemical Physics. DOI: 10.1016/J.Chemphys.2010.08.014 |
0.393 |
|
| 2009 |
Chaudhury P, Metzler R, Banik SK. Finding the optimum activation energy in DNA breathing dynamics: A simulated annealing approach Journal of Physics a: Mathematical and Theoretical. 42. DOI: 10.1088/1751-8113/42/33/335101 |
0.321 |
|
| 2009 |
Sharma R, Saha R, Nandy S, Bhattacharyya SP, Chaudhury P. Computation of molecular electronic structure by genetic algorithm Materials and Manufacturing Processes. 24: 155-161. DOI: 10.1080/10426910802612197 |
0.688 |
|
| 2008 |
Nandy S, Chaudhury P, Sharma R, Bhattacharyya SP. A density-matrix-based simulated annealing (SA) technique for locating minimum energy structures on the neutral polythiophene potential energy surface Journal of Theoretical and Computational Chemistry. 7: 977-987. DOI: 10.1142/S0219633608004234 |
0.518 |
|
| 2004 |
Nandy S, Chaudhury P, Bhattacharyya SP. Diagonalization of a real-symmetric Hamiltonian by genetic algorithm: A recipe based on minimization of Rayleigh quotient Journal of Chemical Sciences. 116: 285-291. DOI: 10.1007/Bf02708279 |
0.338 |
|
| 2003 |
Chaudhury P, Bhattacharyya SP. Evolution of defect states in doped polythiophene: A study based on the method of simulated annealing International Journal of Quantum Chemistry. 91: 663-674. DOI: 10.1002/Qua.10477 |
0.331 |
|
| 2002 |
Nandy S, Chaudhury P, Bhattacharyya SP. Stochastic diagonalization of Hamiltonian: A genetic algorithm-based approach International Journal of Quantum Chemistry. 90: 188-194. DOI: 10.1002/Qua.995 |
0.35 |
|
| 2001 |
Saha R, Chaudhury P, Bhattacharyya SP. Direct solution of Schrödinger equation by genetic algorithm: Test cases Physics Letters, Section a: General, Atomic and Solid State Physics. 291: 397-406. DOI: 10.1016/S0375-9601(01)00704-6 |
0.624 |
|
| 2001 |
Chaudhury P, Saha R, Bhattacharyya SP. Structure and vibrational spectroscopy of halide ion hydrates: A study based on genetic algorithm Chemical Physics. 270: 277-285. DOI: 10.1016/S0301-0104(01)00410-4 |
0.647 |
|
| 2000 |
Chaudhury P, Bhattacharyya SP, Quapp W. A genetic algorithm based technique for locating first-order saddle point using a gradient dominated recipe Chemical Physics. 253: 295-303. DOI: 10.1016/S0301-0104(00)00010-0 |
0.384 |
|
| 2000 |
Chaudhury P, Bhattacharyya SP. Stochastic construction of reaction paths: A genetic algorithm‐based approach International Journal of Quantum Chemistry. 76: 161-168. DOI: 10.1002/(Sici)1097-461X(2000)76:2<161::Aid-Qua6>3.0.Co;2-6 |
0.365 |
|
| 1999 |
Kumar Mondal C, Chaudhury P, Bhattacharyya S. Photo-dissociation dynamics of a diatomic molecule: modelling of thermal and environmental effects Chemical Physics Letters. 311: 400-406. DOI: 10.1016/S0009-2614(99)00870-2 |
0.302 |
|
| 1999 |
Chaudhury P, Bhattacharyya SP. Bound states in screened and bare Coulomb potentials: A nonorthogonal CI‐based route to effective Hamiltonians for two‐electron systems International Journal of Quantum Chemistry. 74: 153-161. DOI: 10.1002/(Sici)1097-461X(1999)74:2<153::Aid-Qua12>3.0.Co;2-8 |
0.363 |
|
| 1998 |
Chaudhury P, Bhattacharyya SP. A simulated annealing based technique for locating first-order saddle points on multidimensional surfaces and constructing reaction paths: several model studies Journal of Molecular Structure-Theochem. 429: 175-186. DOI: 10.1016/S0166-1280(97)00350-3 |
0.379 |
|
| 1998 |
Chaudhury P, Bhattacharyya SP. Numerical solutions of the Schrödinger equation directly or perturbatively by a genetic algorithm: test cases Chemical Physics Letters. 296: 51-60. DOI: 10.1016/S0009-2614(98)00973-7 |
0.326 |
|
| 1996 |
Chaudhury P, Bandyopadhyay P, Bhattacharyya SP. Exploring a discretized generator coordinate route to approximate eigenstates of one- and two-dimensional anharmonic oscillators within the framework of the simulated annealing method Chemical Physics Letters. 262: 764-770. DOI: 10.1016/S0009-2614(96)01140-2 |
0.396 |
|
| 1996 |
Chaudhury P, Dutta P, Bandyopadhyay P, Sarkar P, Bhattacharyya SP. A random walk to local minima and saddle points on a potential energy surface. A strategy based on simulated annealing Chemical Physics Letters. 250: 238-246. DOI: 10.1016/0009-2614(95)01426-8 |
0.561 |
|
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