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The Journal of Chemical Physics|April 17, 2008
Orbital optimization in the density matrix renormalization group, with applications to polyenes and beta-caroteneDebashree Ghosh, Johannes Hachmann, Takeshi Yanai, et al.
Physical Chemistry Chemical Physics : PCCP|August 30, 2018
Machine learning prediction of interaction energies in rigid water clustersSamik Bose, Diksha Dhawan, Sutanu Nandi, et al.
The Journal of Physical Chemistry Letters|December 25, 2015
A VUV Photoionization and Ab Initio Determination of the Ionization Energy of a Gas-Phase Sugar (Deoxyribose)Debashree Ghosh, Amir Golan, Lynelle K Takahashi, et al.
Physical Chemistry Chemical Physics : PCCP|November 20, 2014
Spectroscopic and ab initio investigation of 2,6-difluorophenylacetylene-amine complexes: coexistence of C-H···N and lone-pair···π complexes and intermolecular coulombic decaySohidul Islam Mondal, Arghya Dey, Saumik Sen, et al.
Physical Chemistry Chemical Physics : PCCP|August 26, 2017
The nature of selenium hydrogen bonding: gas phase spectroscopy and quantum chemistry calculationsKamal K Mishra, Santosh K Singh, Paulami Ghosh, et al.
Physical Chemistry Chemical Physics : PCCP|October 30, 2014
Electrostatics determine vibrational frequency shifts in hydrogen bonded complexesArghya Dey, Sohidul Islam Mondal, Saumik Sen, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|August 28, 2013
Combination of best promoter and micellar catalyst for more than kilo-fold rate acceleration in favor of chromic acid oxidation of D-galactose to D-galactonic acid in aqueous media at room temperatureRumpa Saha, Aniruddha Ghosh, Pintu Sar, et al.
The Journal of Physical Chemistry. B|April 14, 2012
First-principle protocol for calculating ionization energies and redox potentials of solvated molecules and ions: theory and application to aqueous phenol and phenolateDebashree Ghosh, Anirban Roy, Robert Seidel, et al.
Chemical Communications (Cambridge, England)|December 23, 2025
Delineating the roaming and non-roaming pathways for the NO release in o-nitrofuran and o-nitrothiopheneSumitra Singh, Supriyo Santra, Shaivi Kesari, et al.
Dalton Transactions (Cambridge, England : 2003)|August 17, 2017
Unprecedented solvent induced inter-conversion between monomeric and dimeric silylene-zinc iodide adductsSandeep Yadav, Ekta Sangtani, Diksha Dhawan, et al.
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