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2020 – today
- 2024
[j7]Paige E. Bowling
, Saswata Dasgupta, John M. Herbert:
Eliminating Imaginary Vibrational Frequencies in Quantum-Chemical Cluster Models of Enzymatic Active Sites. J. Chem. Inf. Model. 64(9): 3912-3922 (2024)
2010 – 2019
- 2018
- [j6]Adrian F. Morrison, Evgeny Epifanovsky, John M. Herbert:
Double-buffered, heterogeneous CPU + GPU integral digestion algorithm for single-excitation calculations involving a large number of excited states. J. Comput. Chem. 39(26): 2173-2182 (2018) - 2017
- [j5]Saswata Dasgupta, John M. Herbert:
Standard grids for high-precision integration of modern density functionals: SG-2 and SG-3. J. Comput. Chem. 38(12): 869-882 (2017) - [j4]Kuan-Yu Liu, Jie Liu, John M. Herbert:
Accuracy of finite-difference harmonic frequencies in density functional theory. J. Comput. Chem. 38(19): 1678-1684 (2017) - 2016
- [j3]Victor Trevino, Alberto Cassese, Zsuzsanna Nagy, Xiaodong Zhuang, John M. Herbert, Philipp Antzack, Kim Clarke, Nicholas Davies, Ayesha Rahman, Moray J. Campbell, Michele Guindani, Roy Bicknell, Marina Vannucci, Francesco Falciani:
A Network Biology Approach Identifies Molecular Cross-Talk between Normal Prostate Epithelial and Prostate Carcinoma Cells. PLoS Comput. Biol. 12(4) (2016) - 2011
- [j2]Tim D. Williams, Nil Turan, Amer M. Diab, Huifeng Wu, Carolynn Mackenzie, Katie L. Bartie, Olga Hrydziuszko, Brett P. Lyons, Grant D. Stentiford, John M. Herbert, Joseph K. Abraham, Ioanna Katsiadaki, Michael J. Leaver, John B. Taggart, Stephen G. George, Mark R. Viant, Kevin J. Chipman, Francesco Falciani:
Towards a System Level Understanding of Non-Model Organisms Sampled from the Environment: A Network Biology Approach. PLoS Comput. Biol. 7(8) (2011)
1990 – 1999
- 1998
- [j1]John M. Herbert, Walter C. Ermler:
Symbolic Implementation of Arbitrary-order Perturbation Theory Using Computer Algebra: Application to Vibrational-Rotational Analysis of Diatomic Molecules. Comput. Chem. 22(2-3): 169-184 (1998)
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