Gregory J O Beran

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2015-2024
Publications (10 Years): 26

Top Venues

Chemical science

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

Inorganic chemistry

University of California Riverside

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of California Riverside Jul 01 2007

United States

Professor :: Department of Chemistry

Publications

Sebastian A Ramos, Leonard J Mueller, Gregory J O Beran
The interplay of density functional selection and crystal structure for accurate NMR chemical shift predictions. Faraday discussions (2024)
Gregory J O Beran, Chandler Greenwell, Cameron Cook, Jan Řezáč
Improved Description of Intra- and Intermolecular Interactions through Dispersion-Corrected Second-Order Møller-Plesset Perturbation Theory. Accounts of chemical research (2023)
Robbie J Iuliucci, Joshua D Hartman, Gregory J O Beran
Do Models beyond Hybrid Density Functionals Increase the Agreement with Experiment for Predicted NMR Chemical Shifts or Electric Field Gradient Tensors in Organic Solids? The journal of physical chemistry. A (2023)
Gregory J O Beran
Frontiers of molecular crystal structure prediction for pharmaceuticals and functional organic materials. Chemical science 14 (46) (2023)
Cameron J Cook, Cody J Perry, Gregory J O Beran
Organic Crystal Packing Is Key to Determining the Photomechanical Response. The journal of physical chemistry letters (2023)
Chandler Greenwell, Jan Řezáč, Gregory J O Beran
Spin-component-scaled and dispersion-corrected second-order Møller-Plesset perturbation theory: a path toward chemical accuracy. Physical chemistry chemical physics : PCCP 24 (6) (2022)
Cameron J Cook, Wangxiang Li, Brandon F Lui, Thomas J Gately, Rabih O Al-Kaysi, Leonard J Mueller, Christopher J Bardeen, Gregory J O Beran
A theoretical framework for the design of molecular crystal engines. Chemical science 14 (4) (2022)
Cameron J Cook, Wangxiang Li, Brandon F Lui, Thomas J Gately, Rabih O Al-Kaysi, Leonard J Mueller, Christopher J Bardeen, Gregory J O Beran
A theoretical framework for the design of molecular crystal engines. Chemical science 14 (4) (2022)
Pablo A Unzueta, Chandler S Greenwell, Gregory J O Beran
Predicting Density Functional Theory-Quality Nuclear Magnetic Resonance Chemical Shifts via Δ-Machine Learning. Journal of chemical theory and computation 17 (2) (2021)
Gregory J O Beran, Isaac J Sugden, Chandler Greenwell, David H Bowskill, Constantinos C Pantelides, Claire S Adjiman
How many more polymorphs of ROY remain undiscovered. Chemical science 13 (5) (2021)
Pablo A Unzueta, Gregory J O Beran
Polarizable continuum models provide an effective electrostatic embedding model for fragment-based chemical shift prediction in challenging systems. Journal of computational chemistry 41 (26) (2020)
Chandler Greenwell, Jessica L McKinley, Peiyu Zhang, Qun Zeng, Guangxu Sun, Bochen Li, Shuhao Wen, Gregory J O Beran
Overcoming the difficulties of predicting conformational polymorph energetics in molecular crystals via correlated wavefunction methods. Chemical science 11 (8) (2020)
Kevin R Chalek, Xinning Dong, Fei Tong, Ryan A Kudla, Lingyan Zhu, Adam D Gill, Wenwen Xu, Chen Yang, Joshua D Hartman, Alviclér Magalhães, Rabih O Al-Kaysi, Ryan C Hayward, Richard J Hooley, Gregory J O Beran, Christopher J Bardeen, Leonard J Mueller
Bridging photochemistry and photomechanics with NMR crystallography: the molecular basis for the macroscopic expansion of an anthracene ester nanorod. Chemical science 12 (1) (2020)
Jessica L McKinley, Gregory J O Beran
Improving Predicted Nuclear Magnetic Resonance Chemical Shifts Using the Quasi-Harmonic Approximation. Journal of chemical theory and computation 15 (10) (2019)
Ctirad Červinka, Gregory J O Beran
Ab initio thermodynamic properties and their uncertainties for crystalline α-methanol. Physical chemistry chemical physics : PCCP 19 (44) (2018)
Tabitha F Miller, Lauren R Holloway, Phoebe P Nye, Yana Lyon, Gregory J O Beran, W Hill Harman, Ryan R Julian, Richard J Hooley
Small Structural Variations Have Large Effects on the Assembly Properties and Spin State of Room Temperature High Spin Fe(II) Iminopyridine Cages. Inorganic chemistry 57 (21) (2018)
Ctirad Červinka, Gregory J O Beran
Ab initio prediction of the polymorph phase diagram for crystalline methanol. Chemical science 9 (20) (2018)
Maciej Krzeszewski, Eli Misael Espinoza, Ctirad Červinka, James Bennett Derr, John Anthony Clark, Dan Borchardt, Gregory J O Beran, Daniel T Gryko, Valentine Ivanov Vullev
Dipole Effects on Electron Transfer are Enormous. Angewandte Chemie (International ed. in English) 57 (38) (2018)
Paul M Bogie, Lauren R Holloway, Yana Lyon, Nicole C Onishi, Gregory J O Beran, Ryan R Julian, Richard J Hooley
A Springloaded Metal-Ligand Mesocate Allows Access to Trapped Intermediates of Self-Assembly. Inorganic chemistry 57 (7) (2018)
Dominique Nocito, Gregory J O Beran
Massively Parallel Implementation of Divide-and-Conquer Jacobi Iterations Using Particle-Mesh Ewald for Force Field Polarization. Journal of chemical theory and computation 14 (7) (2018)
Dominique Nocito, Gregory J O Beran
Fast divide-and-conquer algorithm for evaluating polarization in classical force fields. The Journal of chemical physics 146 (11) (2018)
Jan Řezáč, Chandler Greenwell, Gregory J O Beran
Accurate Noncovalent Interactions via Dispersion-Corrected Second-Order Møller-Plesset Perturbation Theory. Journal of chemical theory and computation 14 (9) (2018)
Dominique Nocito, Gregory J O Beran
Averaged Condensed Phase Model for Simulating Molecules in Complex Environments. Journal of chemical theory and computation 13 (3) (2017)
Joshua D Hartman, Ashwin Balaji, Gregory J O Beran
Improved Electrostatic Embedding for Fragment-Based Chemical Shift Calculations in Molecular Crystals. Journal of chemical theory and computation 13 (12) (2017)
Watit Sontising, Yonaton N Heit, Jessica L McKinley, Gregory J O Beran
Theoretical predictions suggest carbon dioxide phases III and VII are identical. Chemical science 8 (11) (2017)
Yonaton N Heit, Kaushik D Nanda, Gregory J O Beran
Predicting finite-temperature properties of crystalline carbon dioxide from first principles with quantitative accuracy. Chemical science 7 (1) (2015)

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Publication Activity (10 Years)

Top Topics

Top Venues

Gregory J O Beran