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Journal 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|April 28, 2023
Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Møller-Plesset perturbation methodBuu Q Pham, Laura Carrington, Ananta Tiwari, et al.The 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.Journal of Chemical Theory and Computation|October 26, 2021
Electronic Structure Theory Calculations Using Modern Architectures: KNL vs HaswellTaylor Harville, Mark S GordonThe Journal of Physical Chemistry. A|August 25, 2006
Methanol-water mixtures: a microsolvation study using the effective fragment potential methodIvana Adamovic, Mark S GordonThe Journal of Chemical Physics|December 3, 2008
Reaction mechanism of the direct gas phase synthesis of H(2)O(2) catalyzed by Au(3)Bosiljka Njegic, Mark S GordonPageof 27