Multimode quantum dynamics using Gaussian wavepackets: The Gaussian-based multiconfiguration time-dependent Hartree (G-MCTDH) method applied to the absorption spectrum of pyrazine I Burghardt, K Giri, GA Worth
The Journal of chemical physics 129 (17), 2008
202 2008 Studies on the interactions of 5-R-3-(2-pyridyl)-1, 2, 4-triazines with arynes: inverse demand aza-Diels–Alder reaction versus aryne-mediated domino process DS Kopchuk, IL Nikonov, AF Khasanov, K Giri, S Santra, IS Kovalev, ...
Organic & Biomolecular Chemistry 16 (28), 5119-5135, 2018
67 2018 The QUANTICS Package GA Worth, K Giri, GW Richings, I Burghardt, MH Beck, A Jäckle, HD Meyer
University of Birmingham: Birmingham, UK, 2015
65 2015 Solvent-free synthesis of 5-(aryl/alkyl) amino-1, 2, 4-triazines and α-arylamino-2, 2′-bipyridines with greener prospects DS Kopchuk, NV Chepchugov, IS Kovalev, S Santra, M Rahman, K Giri, ...
RSC advances 7 (16), 9610-9619, 2017
50 2017 Extended cavity pyrene-based iptycenes for the turn-off fluorescence detection of RDX and common nitroaromatic explosives VNCONC Albert F. Khasanov,a Dmitry S. Kopchuk,ab Igor S. Kovalev,a Olga S ...
New J. Chem, 2017
35 2017 3-Cyano-2-azaanthracene-based “push-pull” fluorophores: A one-step preparation from 5-cyano-1, 2, 4-triazines and 2, 3-dehydronaphthalene, generated in situ DS Kopchuk, NV Chepchugov, OS Taniya, AF Khasanov, K Giri, ...
Tetrahedron letters 57 (50), 5639-5643, 2016
35 2016 A full-dimensional coupled-surface study of the photodissociation dynamics of ammonia using the multiconfiguration time-dependent Hartree method K Giri, E Chapman, CS Sanz, G Worth
The Journal of chemical physics 135 (4), 2011
31 2011 Dissociative Double Ionization of CO2 : Dynamics, Energy Levels, and Lifetime V Sharma, B Bapat, J Mondal, M Hochlaf, K Giri, N Sathyamurthy
The Journal of Physical Chemistry A 111 (41), 10205-10211, 2007
30 2007 Ground and excited states of the monomer and dimer of certain carboxylic acids U Lourderaj, K Giri, N Sathyamurthy
The Journal of Physical Chemistry A 110 (8), 2709-2717, 2006
29 2006 Three Dimensional Quantum Dynamics of (H- , H2 ) and Its Isotopic Variants AN Panda, K Giri, N Sathyamurthy
The Journal of Physical Chemistry A 109 (10), 2057-2061, 2005
28 2005 1-Hydroxypyrene-based micelle-forming sensors for the visual detection of RDX/TNG/PETN-based bomb plots in water IS Kovalev, OS Taniya, DS Kopchuk, K Giri, A Mukherjee, S Santra, ...
New Journal of Chemistry 42 (24), 19864-19871, 2018
18 2018 Rotational excitation in (H−, H2) collisions: a quantum mechanical study K Giri, N Sathyamurthy
Journal of Physics B: Atomic, Molecular and Optical Physics 39 (20), 4123, 2006
15 2006 Collision-induced dissociation in (He, H2+(v = 0–2; j = 0–3)) system: A time-dependent quantum mechanical investigation S Kolakkandy, K Giri, N Sathyamurthy
The Journal of Chemical Physics 136 (24), 2012
14 2012 Influence of Reagent Rotation on (H-, D2) and (D-, H2) Collisions: A Quantum Mechanical Study K Giri, N Sathyamurthy
The Journal of Physical Chemistry A 110 (51), 13843-13849, 2006
13 2006 Synthesis and photophysics of new unsymmetrically substituted 5, 5′-diaryl-2, 2′-bypiridine-based “push-pull” fluorophores ES Starnovskaya, DS Kopchuk, AF Khasanov, OS Tanya, S Santra, K Giri, ...
Dyes and Pigments 162, 324-330, 2019
12 2019 Shtaitz YaK, Starnovskaya ES, Khalymbadzha IA, Drokin RA, Ulomsky EN, Santra S, Zyryanov GV, Rusinov VL, Chupakhin ON AP Krinochkin, DS Kopchuk, K Giri
A PASE Approach towards (Adamantyl-1)-, Alkyl-and (Het) Aryl-Substituted [1 …, 2018
12 2018 Quantum dynamics of (H−, HD) collisions at low energies K Giri, N Sathyamurthy
Chemical physics letters 444 (1-3), 23-27, 2007
12 2007 HeH+ Collisions with H2 : Rotationally Inelastic Cross Sections and Rate Coefficients from Quantum Dynamics at Interstellar Temperatures K Giri, L González-Sánchez, R Biswas, E Yurtsever, FA Gianturco, ...
The Journal of Physical Chemistry A 126 (14), 2244-2261, 2022
11 2022 Energy-transfer quantum dynamics of HeH+ with He atoms: Rotationally inelastic cross sections and rate coefficients FA Gianturco, K Giri, L Gonzalez-Sanchez, E Yurtsever, N Sathyamurthy, ...
The Journal of Chemical Physics 154 (5), 2021
10 2021 Supported-Pd catalyzed tandem approach for N-arylbenzamides synthesis AK Sharma, D Bhattacherjee, N Sharma, K Giri, P Das
Molecular Catalysis 516, 111948, 2021
9 2021