E-LIB Suche - Ergebnisse für: Hutchison, Geoffrey

1

Assessing conformer energies using electronic structure and..:

Folmsbee, Dakota ; Hutchison, Geoffrey
International Journal of Quantum Chemistry. 121 (2020) 1 - p. , 2020

2

PERILS AND PROSPECTS IN TOWN AND COUNTRY: A CONFERENCE:

SANDYS, DUNCAN ; HOSKINS, W. G. ; CASSON, HUGH...
Journal of the Royal Society of Arts. 105 (1956) 4993 - p. 73-120 , 1956

Link: https://www.jstor.org/st..

3

QupKake: Integrating Machine Learning and Quantum Chemistry..:

Abarbanel, Omri D. ; Hutchison, Geoffrey R.
Journal of Chemical Theory and Computation. , 2024

Link: https://doi.org/10.1021/..

4

Determining best practices for using genetic algorithms in ..:

Greenstein, Brianna L. ; Elsey, Danielle C. ; Hutchison, Geoffrey R.
The Journal of Chemical Physics. 159 (2023) 9 - p. , 2023

Link: https://doi.org/10.1063/..

5

Systematic Comparison of Experimental Crystallographic Geom..:

Folmsbee, Dakota L. ; Koes, David R. ; Hutchison, Geoffrey R.
Journal of Chemical Information and Modeling. 63 (2023) 23 - p. 7401-7411 , 2023

Link: https://doi.org/10.1021/..

6

Conformer Generation for Structure-Based Drug Design: How M..:

McNutt, Andrew T. ; Bisiriyu, Fatimah ; Song, Sophia...
Journal of Chemical Information and Modeling. 63 (2023) 21 - p. 6598-6607 , 2023

Link: https://doi.org/10.1021/..

7

Screening Efficient Tandem Organic Solar Cells with Machine..:

Greenstein, Brianna L. ; Hutchison, Geoffrey R.
The Journal of Physical Chemistry C. 127 (2023) 13 - p. 6179-6191 , 2023

Link: https://doi.org/10.1021/..

8

Using genetic algorithms to discover novel ground-state tri..:

Abarbanel, Omri D. ; Hutchison, Geoffrey R.
Physical Chemistry Chemical Physics. 25 (2023) 16 - p. 11278-11285 , 2023

Link: https://doi.org/10.1039/..

9

Organic Photovoltaic Efficiency Predictor: Data-Driven Mode..:

Greenstein, Brianna L. ; Hutchison, Geoffrey R.
The Journal of Physical Chemistry Letters. 13 (2022) 19 - p. 4235-4243 , 2022

Link: https://doi.org/10.1021/..

10

Strategies for Computer-Aided Discovery of Novel Open-Shell..:

Abarbanel, Omri D. ; Rozon, Julisa ; Hutchison, Geoffrey R.
The Journal of Physical Chemistry Letters. 13 (2022) 9 - p. 2158-2164 , 2022

Link: https://doi.org/10.1021/..

11

Evaluating fast methods for static polarizabilities on exte..:

Hiener, Danielle C. ; Folmsbee, Dakota L. ; Langkamp, Luke A..
Physical Chemistry Chemical Physics. 24 (2022) 38 - p. 23173-23181 , 2022

Link: https://doi.org/10.1039/..

12

Pareto Optimization of Oligomer Polarizability and Dipole M..:

Hiener, Danielle C. ; Hutchison, Geoffrey R.
The Journal of Physical Chemistry A. 126 (2022) 17 - p. 2750-2760 , 2022

Link: https://doi.org/10.1021/..

13

Computational evolution of high-performing unfused non-full..:

Greenstein, Brianna L. ; Hiener, Danielle C. ; Hutchison, Geoffrey R.
The Journal of Chemical Physics. 156 (2022) 17 - p. , 2022

Link: https://doi.org/10.1063/..

14

Intrinsically Polar Piezoelectric Self‐Assembled Oligopepti..:

Petroff, Christopher A. ; Cassone, Giuseppe ; Šponer, Jiří.
Advanced Materials. 33 (2021) 17 - p. , 2021

Link: https://doi.org/10.1002/..

15

Understanding Conformational Entropy in Small Molecules:

Chan, Lucian ; Morris, Garrett M. ; Hutchison, Geoffrey R.
Journal of Chemical Theory and Computation. 17 (2021) 4 - p. 2099-2106 , 2021

Link: https://doi.org/10.1021/..