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Journal of Chemical Theory and Computation|April 25, 2019
Variational Relativistic Two-Component Complete-Active-Space Self-Consistent Field MethodAndrew J Jenkins, Hongbin Liu, Joseph M Kasper, et al.
Plos One|July 7, 2015
Selective Impact of Disease on Coral Communities: Outbreak of White Syndrome Causes Significant Total Mortality of Acropora Plate CoralsJean-Paul A Hobbs, Ashley J Frisch, Stephen J Newman, et al.
The Journal of Chemical Physics|October 10, 2009
Using the ONIOM hybrid method to apply equation of motion CCSD to larger systems: benchmarking and comparison with time-dependent density functional theory, configuration interaction singles, and time-dependent Hartree-FockMarco Caricato, Thom Vreven, Gary W Trucks, et al.
Journal of Computational Chemistry|January 12, 2018
How are the charge transfer descriptors affected by the quality of the underpinning electronic density?Federica Maschietto, Marco Campetella, Michael J Frisch, et al.
The Journal of Physical Chemistry. A|July 22, 2025
Toward Validated Quantum Mechanical Workflows Predicting pH-Dependent Properties: Benchmarking Protocols for Conformational Sampling, Model Solvent, Basis Set, Density Functional, and Empirical CorrectionsDonatus A Agbaglo, Minh T N Ho, Michael J Frisch, et al.
Physical Chemistry Chemical Physics : PCCP|April 11, 2017
Investigating the optical properties of BOIMPY dyes using ab initio toolsBoris Le Guennic, Giovanni Scalmani, Michael J Frisch, et al.
Biology Letters|January 8, 2009
Marine hybrid hotspot at Indo-Pacific biogeographic borderJean-Paul A Hobbs, Ashley J Frisch, Gerald R Allen, et al.
The Journal of Physical Chemistry. B|April 8, 2010
Studies of the ground and excited-state surfaces of the retinal chromophore using CAM-B3LYPIvan V Rostov, Roger D Amos, Rika Kobayashi, et al.
The Journal of Physical Chemistry Letters|March 27, 2020
M11plus, a Range-Separated Hybrid Meta Functional Incorporating Nonlocal Rung-3.5 Correlation, Exhibits Broad Accuracy on Diverse DatabasesBenjamin G Janesko, Pragya Verma, Giovanni Scalmani, et al.
The Journal of Chemical Physics|March 11, 2006
Geometries and properties of excited states in the gas phase and in solution: theory and application of a time-dependent density functional theory polarizable continuum modelGiovanni Scalmani, Michael J Frisch, Benedetta Mennucci, et al.
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