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Reduced computational cost of polarizable force fields by a modification of the always stable predictor-corrector

The Journal of chemical physics, 2019-04, Vol.150 (15), p.151103-151103

2019

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A theoretical framework for the design of molecular crystal engines

Chemical science (Cambridge), 2023-01, Vol.14 (4), p.937-949

2023

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Improving Predicted Nuclear Magnetic Resonance Chemical Shifts Using the Quasi-Harmonic Approximation

Journal of chemical theory and computation, 2019-10, Vol.15 (10), p.5259-5274

2019

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Massively Parallel Implementation of Divide-and-Conquer Jacobi Iterations Using Particle-Mesh Ewald for Force Field Polarization

Journal of chemical theory and computation, 2018-07, Vol.14 (7), p.3633-3642

2018

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Predicting finite-temperature properties of crystalline carbon dioxide from first principles with quantitative accuracy

Chemical science (Cambridge), 2016-01, Vol.7 (1), p.246-255

2016

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Self-Control in Animals and People

Beran, Michael

1, 2018

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Fragment-Based Electronic Structure Approach for Computing Nuclear Magnetic Resonance Chemical Shifts in Molecular Crystals

Journal of chemical theory and computation, 2014-11, Vol.10 (11), p.4862-4872

2014

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Habitual prospective memory in preschool children

PloS one, 2023-10, Vol.18 (10), p.e0293599-e0293599

2023

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Information seeking by rhesus monkeys (Macaca mulatta) and capuchin monkeys (Cebus apella)

Cognition, 2011-07, Vol.120 (1), p.90-105

2011

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A Springloaded Metal-Ligand Mesocate Allows Access to Trapped Intermediates of Self-Assembly

Inorganic chemistry, 2018-04, Vol.57 (7), p.4155-4163

2018

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Fast divide-and-conquer algorithm for evaluating polarization in classical force fields

The Journal of chemical physics, 2017-03, Vol.146 (11), p.114103-114103

2017

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Effect of halogen substitution on energies and dynamics of reversible photomechanical crystals based on 9-anthracenecarboxylic acid

CrystEngComm, 2021-09, Vol.23 (34), p.5931-5943

2021

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Crystal Polymorphism in Oxalyl Dihydrazide: Is Empirical DFT‑D Accurate Enough?

Journal of chemical theory and computation, 2012-08, Vol.8 (8), p.2698-2705

2012

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Bridging photochemistry and photomechanics with NMR crystallography: the molecular basis for the macroscopic expansion of an anthracene ester nanorod

Chemical science (Cambridge), 2020-10, Vol.12 (1), p.453-463

2020

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Small Structural Variations Have Large Effects on the Assembly Properties and Spin State of Room Temperature High Spin Fe(II) Iminopyridine Cages

Inorganic chemistry, 2018-11, Vol.57 (21), p.13386-13396

2018

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Converging nuclear magnetic shielding calculations with respect to basis and system size in protein systems

Journal of biomolecular NMR, 2015-07, Vol.62 (3), p.327-340

2015

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Chimpanzees Remember the Results of One-by-One Addition of Food Items to Sets over Extended Time Periods

Psychological science, 2004-02, Vol.15 (2), p.94-99

2004

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Dipole-Mediated Rectification of Intramolecular Photoinduced Charge Separation and Charge Recombination

Journal of the American Chemical Society, 2014-09, Vol.136 (37), p.12966-12973

2014

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Animal Memory: Chimpanzees Anticipate What Comes Next in Short Movies

Current biology, 2015-10, Vol.25 (19), p.R829-R830

Beran, Michael J.

2015

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Fragment and localized orbital methods in electronic structure theory

Physical chemistry chemical physics : PCCP, 2012-06, Vol.14 (21), p.7559-7561

2012

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Chimpanzees show some evidence of selectively acquiring information by using tools, making inferences, and evaluating possible outcomes

PloS one, 2018-04, Vol.13 (4), p.e0193229-e0193229

2018

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Do You See What I See? A Comparative Investigation of the Delboeuf Illusion in Humans (Homo sapiens), Rhesus Monkeys (Macaca mulatta), and Capuchin Monkeys (Cebus apella)

Journal of experimental psychology. Animal learning and cognition, 2015-10, Vol.41 (4), p.395-405

2015

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Animal Memory: Rats Bind Event Details into Episodic Memories

Current biology, 2014-12, Vol.24 (24), p.R1159-R1160

Beran, Michael J.

2014

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Consistently Inconsistent Perceptual Illusions in Nonhuman Primates: The Importance of Individual Differences

Animals (Basel), 2022-12, Vol.13 (1), p.22

2022

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Fins, Feathers, Fingers, and Finding an Explanation for the Puzzle of Ephemeral Rewards

Journal of comparative psychology (1983), 2024-08, Vol.138 (3), p.147-149

2024

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Reduced computational cost of polarizable force fields by a modification of the always stable predictor-corrector

A theoretical framework for the design of molecular crystal engines

Improving Predicted Nuclear Magnetic Resonance Chemical Shifts Using the Quasi-Harmonic Approximation

Massively Parallel Implementation of Divide-and-Conquer Jacobi Iterations Using Particle-Mesh Ewald for Force Field Polarization

Predicting finite-temperature properties of crystalline carbon dioxide from first principles with quantitative accuracy

Self-Control in Animals and People

Fragment-Based Electronic Structure Approach for Computing Nuclear Magnetic Resonance Chemical Shifts in Molecular Crystals

Habitual prospective memory in preschool children

Information seeking by rhesus monkeys (Macaca mulatta) and capuchin monkeys (Cebus apella)

A Springloaded Metal-Ligand Mesocate Allows Access to Trapped Intermediates of Self-Assembly

Fast divide-and-conquer algorithm for evaluating polarization in classical force fields

Effect of halogen substitution on energies and dynamics of reversible photomechanical crystals based on 9-anthracenecarboxylic acid

Crystal Polymorphism in Oxalyl Dihydrazide: Is Empirical DFT‑D Accurate Enough?

Bridging photochemistry and photomechanics with NMR crystallography: the molecular basis for the macroscopic expansion of an anthracene ester nanorod

Small Structural Variations Have Large Effects on the Assembly Properties and Spin State of Room Temperature High Spin Fe(II) Iminopyridine Cages

Converging nuclear magnetic shielding calculations with respect to basis and system size in protein systems

Chimpanzees Remember the Results of One-by-One Addition of Food Items to Sets over Extended Time Periods

Dipole-Mediated Rectification of Intramolecular Photoinduced Charge Separation and Charge Recombination

Animal Memory: Chimpanzees Anticipate What Comes Next in Short Movies

Fragment and localized orbital methods in electronic structure theory

Chimpanzees show some evidence of selectively acquiring information by using tools, making inferences, and evaluating possible outcomes

Do You See What I See? A Comparative Investigation of the Delboeuf Illusion in Humans (Homo sapiens), Rhesus Monkeys (Macaca mulatta), and Capuchin Monkeys (Cebus apella)

Animal Memory: Rats Bind Event Details into Episodic Memories

Consistently Inconsistent Perceptual Illusions in Nonhuman Primates: The Importance of Individual Differences

Fins, Feathers, Fingers, and Finding an Explanation for the Puzzle of Ephemeral Rewards

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