Interplay of thermochemistry and Structural Chemistry, the journal (volume 22, 2011, issues 4–6) and the discipline
M Ponikvar-Svet, DN Zeiger, JF Liebman - Structural Chemistry, 2012 - Springer
Interplay of thermochemistry and Structural Chemistry, the journal (volume 22, 2011, issues
4–6) and the discipline | SpringerLink Skip to main content Advertisement SpringerLink Log in …
4–6) and the discipline | SpringerLink Skip to main content Advertisement SpringerLink Log in …
Size limits and fission channels of doubly charged noble gas clusters
I Stromberg, S Bergmeister, L Ganner… - Physical Chemistry …, 2024 - pubs.rsc.org
Small, highly charged liquid droplets are unstable with respect to spontaneous charge
separation when their size drops below the Rayleigh limit or, in other words, their fissility …
separation when their size drops below the Rayleigh limit or, in other words, their fissility …
Effect of doping on suppression of Coulomb explosion in dicationic noble gas clusters
P Modak, P Chaudhury - Molecular Physics, 2024 - Taylor & Francis
Dicationic noble gas clusters undergo disintegration due to the repulsive force between
charged ions, known as Coulomb explosion (CE). However, beyond a certain size limit, the …
charged ions, known as Coulomb explosion (CE). However, beyond a certain size limit, the …
Selective bond breaking mediated by state specific vibrational excitation in model HOD molecule through optimized femtosecond IR pulse: A simulated annealing …
The selective control of O–H/O–D bond dissociation in reduced dimensionality model of
HOD molecule has been explored through IR+ UV femtosecond pulses. The IR pulse has …
HOD molecule has been explored through IR+ UV femtosecond pulses. The IR pulse has …
Structure, electronic properties and vibrational spectra of (MgF2)n clusters through a combination of genetic algorithm and DFT-based approach
SG Neogi, P Chaudhury - Molecular Physics, 2015 - Taylor & Francis
In this article, we look at the option of using a stochastic optimisation technique, namely
genetic algorithm (GA) in association with density functional theory (DFT) to find out the …
genetic algorithm (GA) in association with density functional theory (DFT) to find out the …
An adaptive mutation simulated annealing based investigation of Coulombic explosion and identification of dissociation patterns in (CO 2) n 2+ clusters
In this communication, we would like to discuss the advantages of adaptive mutation
simulated annealing (AMSA) over standard simulated annealing (SA) in studying the …
simulated annealing (AMSA) over standard simulated annealing (SA) in studying the …
Predicting stability limits for pure and doped dicationic noble gas clusters undergoing coulomb explosion: A parallel tempering based study
S Ghorai, P Chaudhury - Journal of Computational Chemistry, 2018 - Wiley Online Library
We have used a replica exchange Monte‐Carlo procedure, popularly known as Parallel
Tempering, to study the problem of Coulomb explosion in homogeneous Ar and Xe …
Tempering, to study the problem of Coulomb explosion in homogeneous Ar and Xe …
Study of structure and spectroscopy of water–hydroxide ion clusters: A combined simulated annealing and DFT-based approach
S Guha, SG Neogi, P Chaudhury - Journal of Chemical Sciences, 2014 - Springer
In this paper, we explore the use of stochastic optimizer, namely simulated annealing (SA)
followed by density function theory (DFT)-based strategy for evaluating the structure and …
followed by density function theory (DFT)-based strategy for evaluating the structure and …
Role of the vibrational contribution in Coulomb explosion of dicationic neon gas clusters: a parallel tempering based study
The problem of Coulomb explosion in dicationic neon gas clusters has been investigated
with special emphasis on the role of the vibrational contribution. The problem has been …
with special emphasis on the role of the vibrational contribution. The problem has been …
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 …
SK Biring, P Chaudhury - Chemical Physics, 2012 - Elsevier
This paper proposes Simulated Annealing based search to locate critical points in mixed
noble gas clusters where Ne and Xe are individually doped in Ar-clusters. Using Lennard …
noble gas clusters where Ne and Xe are individually doped in Ar-clusters. Using Lennard …