Remarks on Characteristic Values and Associated Solutions of Mathieus Differential Equation, Exponential Integral, and Systems of Hyperbolic P.D.E. (Remark on Algorithms 352, 385, 392). - Michael J. Frisch (Commun. ACM, 1972)

Ab Initio Calculation of Molar Volumes: Compariso with Experiment and Use in Solvation Models. - Ming Wah Wong; Kenneth B. Wiberg; Michael J. Frisch (J. Comput. Chem., 1995)

Using redundant internal coordinates to optimize equilibrium geometries and transition states. - Chunyang Peng; Philippe Y. Ayala; H. Bernhard Schlegel; Michael J. Frisch (J. Comput. Chem., 1996)

Ab initio quantum chemistry on the Cray T3E massively parallel supercomputer: II. - Carlos P. Sosa; J. Ochterski; J. Carpenter; Michael J. Frisch (J. Comput. Chem., 1998)

Ab initio quantum chemistry on a ccNUMA architecture using openMP III. - Carlos P. Sosa; Giovanni Scalmani; Roberto Gomperts; Michael J. Frisch (Parallel Comput., 2000)

Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints. - Thom Vreven; Keiji Morokuma; Ödön Farkas; H. Bernhard Schlegel; Michael J. Frisch (J. Comput. Chem., 2003)

On the Use of Incomplete LU Decomposition as a Preconditioning Technique for Density Fitting in Electronic Structure Computations. - Rui Yang 005; Alistair P. Rendell; Michael J. Frisch (ICCSA (1), 2007)

Scalability of Gaussian 03 on SGI Altix: The Importance of Data Locality on CC-NUMA Architecture. - Roberto Gomperts; Michael J. Frisch; Jean-Pierre Panziera (IWOMP, 2009)

Modelling the Runtime of the Gaussian Computational Chemistry Application and Assessing the Impacts of Microarchitectural Variations. - Joseph Antony; Alistair P. Rendell; Rui Yang 005; Gary Trucks; Michael J. Frisch (ICCS, 2011)

Modeling emission features of salicylidene aniline molecular crystals: A QM/QM' approach. - Davide Presti; Frédéric Labat; Alfonso Pedone; Michael J. Frisch; Hrant P. Hratchian; Ilaria Ciofini; Maria Cristina Menziani; Carlo Adamo (J. Comput. Chem., 2016)

How are the charge transfer descriptors affected by the quality of the underpinning electronic density? - Federica Maschietto; Marco Campetella; Michael J. Frisch; Giovanni Scalmani; Carlo Adamo; Ilaria Ciofini (J. Comput. Chem., 2018)

Double hybrids and time-dependent density functional theory: An implementation and benchmark on charge transfer excited states. - Alistar Ottochian; Carmela Morgillo; Ilaria Ciofini; Michael J. Frisch; Giovanni Scalmani; Carlo Adamo (J. Comput. Chem., 2020)

Cover Image. - Éric Brémond; Alistar Ottochian; Ángel J. Pérez-Jiménez; Ilaria Ciofini; Giovanni Scalmani; Michael J. Frisch; Juan Carlos Sancho-García; Carlo Adamo (J. Comput. Chem., 2021)

Assessing challenging intra- and inter-molecular charge-transfer excitations energies with double-hybrid density functionals. - Éric Brémond; Alistar Ottochian; Ángel J. Pérez-Jiménez; Ilaria Ciofini; Giovanni Scalmani; Michael J. Frisch; Juan Carlos Sancho-García; Carlo Adamo (J. Comput. Chem., 2021)