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The Journal of Chemical Physics|February 10, 2011
The spin-free analogue of Mukherjee's state-specific multireference coupled cluster theoryDipayan Datta, Debashis MukherjeeJournal of Chemical Theory and Computation|January 31, 2019
Accurate Prediction of Hyperfine Coupling Tensors for Main Group Elements Using a Unitary Group Based Rigorously Spin-Adapted Coupled-Cluster TheoryDipayan Datta, Jürgen GaussThe Journal of Chemical Physics|June 14, 2011
A state-specific partially internally contracted multireference coupled cluster approachDipayan Datta, Liguo Kong, Marcel NooijenThe Journal of Chemical Physics|April 12, 2013
Additional global internal contraction in variations of multireference equation of motion coupled cluster theoryOndřej Demel, Dipayan Datta, Marcel NooijenRevista De La Facultad De Ciencias Medicas (Cordoba, Argentina)|December 14, 2019
Psychological Problems and Cleft Lip and/or PalateMarcos Roberto Tovani-Palone, Dipayan DattaThe Journal of Chemical Physics|May 8, 2012
Inactive excitations in Mukherjee's state-specific multireference coupled cluster theory treated with internal contraction: development and applicationsSanghamitra Das, Shubhrodeep Pathak, Dipayan Datta, et al.The Journal of Chemical Physics|December 2, 2020
57Fe Mössbauer parameters from domain based local pair-natural orbital coupled-cluster theoryDipayan Datta, Masaaki Saitow, Barbara Sandhöfer, et al.Physical Chemistry Chemical Physics : PCCP|February 8, 2013
Quantum chemical investigation of epoxide and ether groups in graphene oxide and their vibrational spectraAlister J Page, Chien-Pin Chou, Buu Q Pham, et al.Journal of Computational Chemistry|June 18, 2014
Density functional theory study on mechanisms of epoxy-phenol curing reactionMy-Phuong Pham, Buu Q Pham, Lam K Huynh, et al.Journal of Chemical Theory and Computation|October 26, 2021
Electronic Structure Theory Calculations Using Modern Architectures: KNL vs HaswellTaylor Harville, Mark S GordonPageof 27