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2020 – today
- 2021
[j11]Éric Brémond
, Alistar Ottochian, Ángel J. Pérez-Jiménez, Ilaria Ciofini, Giovanni Scalmani, Michael J. Frisch, Juan Carlos Sancho-García, Carlo Adamo:
Cover Image. J. Comput. Chem. 42(14) (2021)- [j10]Éric Brémond, Alistar Ottochian, Ángel J. Pérez-Jiménez, Ilaria Ciofini, Giovanni Scalmani, Michael J. Frisch, Juan Carlos Sancho-García, Carlo Adamo:
Assessing challenging intra- and inter-molecular charge-transfer excitations energies with double-hybrid density functionals. J. Comput. Chem. 42(14): 970-981 (2021) - 2020
- [j9]Alistar Ottochian, Carmela Morgillo, Ilaria Ciofini, Michael J. Frisch, Giovanni Scalmani, Carlo Adamo:
Double hybrids and time-dependent density functional theory: An implementation and benchmark on charge transfer excited states. J. Comput. Chem. 41(13): 1242-1251 (2020)
2010 – 2019
- 2018
- [j8]Federica Maschietto, Marco Campetella, Michael J. Frisch, Giovanni Scalmani, Carlo Adamo, Ilaria Ciofini:
How are the charge transfer descriptors affected by the quality of the underpinning electronic density? J. Comput. Chem. 39(12): 735-742 (2018) - 2016
- [j7]Davide Presti, Frédéric Labat, Alfonso Pedone, Michael J. Frisch, Hrant P. Hratchian, Ilaria Ciofini, Maria Cristina Menziani, Carlo Adamo:
Modeling emission features of salicylidene aniline molecular crystals: A QM/QM' approach. J. Comput. Chem. 37(9): 861-870 (2016) - 2011
- [c3]Joseph Antony, Alistair P. Rendell, Rui Yang, Gary Trucks, Michael J. Frisch:
Modelling the Runtime of the Gaussian Computational Chemistry Application and Assessing the Impacts of Microarchitectural Variations. ICCS 2011: 281-291
2000 – 2009
- 2009
- [c2]Roberto Gomperts, Michael J. Frisch, Jean-Pierre Panziera:
Scalability of Gaussian 03 on SGI Altix: The Importance of Data Locality on CC-NUMA Architecture. IWOMP 2009: 93-103 - 2007
- [c1]Rui Yang, Alistair P. Rendell, Michael J. Frisch:
On the Use of Incomplete LU Decomposition as a Preconditioning Technique for Density Fitting in Electronic Structure Computations. ICCSA (1) 2007: 265-280 - 2003
- [j6]Thom Vreven, Keiji Morokuma, Ödön Farkas, H. Bernhard Schlegel, Michael J. Frisch:
Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints. J. Comput. Chem. 24(6): 760-769 (2003) - 2000
- [j5]Carlos P. Sosa, Giovanni Scalmani, Roberto Gomperts, Michael J. Frisch:
Ab initio quantum chemistry on a ccNUMA architecture using openMP III. Parallel Comput. 26(7-8): 843-856 (2000)
1990 – 1999
- 1998
- [j4]Carlos P. Sosa, J. Ochterski, J. Carpenter, Michael J. Frisch:
Ab initio quantum chemistry on the Cray T3E massively parallel supercomputer: II. J. Comput. Chem. 19(9): 1053-1063 (1998) - 1996
- [j3]Chunyang Peng, Philippe Y. Ayala, H. Bernhard Schlegel, Michael J. Frisch:
Using redundant internal coordinates to optimize equilibrium geometries and transition states. J. Comput. Chem. 17(1): 49-56 (1996) - 1995
- [j2]Ming Wah Wong, Kenneth B. Wiberg, Michael J. Frisch:
Ab Initio Calculation of Molar Volumes: Compariso with Experiment and Use in Solvation Models. J. Comput. Chem. 16(3): 365-394 (1995)
1970 – 1979
- 1972
- [j1]Michael J. Frisch:
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). Commun. ACM 15(12): 1074 (1972)
Coauthor Index
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