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Terry J Frankcombe

Showing results (31-40 of 46) with videos related to

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Nature Communications|April 14, 2018
Calculating curly arrows from ab initio wavefunctionsYu Liu, Philip Kilby, Terry J Frankcombe, et al.
The Journal of Physical Chemistry. B|July 21, 2006
Orbital-free density functional theory applied to NaAlH4Terry J Frankcombe, Geert-Jan Kroes, Nicholas I Choly, et al.
Journal of Chemical Theory and Computation|September 8, 2025
Visualizing Electronic Vibrations on the Wave Function Tiles of the Low-Lying Singlet Excited States of BenzeneHui Zhang, Terry J Frankcombe, Timothy W Schmidt, et al.
The Journal of Physical Chemistry. B|January 5, 2016
Deprotonation of Water/Hydroxo Ligands in Clusters Mimicking the Water Oxidizing Complex of PSII and Its Effect on the Vibrational Frequencies of Ligated Carboxylate GroupsWooi Yee Chuah, Rob Stranger, Ron J Pace, et al.
Physical Chemistry Chemical Physics : PCCP|July 10, 2019
Prominent out-of-plane diffraction in helium scattering from a methyl-terminated Si(111) surfaceMarcos Del Cueto, Alberto S Muzas, Terry J Frankcombe, et al.
The Journal of Physical Chemistry. A|September 1, 2015
H2 Adsorption in a Porous Crystal: Accurate First-Principles Quantum SimulationJordan H D'Arcy, Meredith J T Jordan, Terry J Frankcombe, et al.
The Journal of Physical Chemistry. B|March 11, 2014
Ab Initio modeling of the effect of oxidation coupled with HnO deprotonation on carboxylate ligands in Mn/Ca clustersWooi Yee Chuah, Rob Stranger, Ron J Pace, et al.
Chemical Communications (Cambridge, England)|February 20, 2020
Glycoluril derived cucurbituril analogues and the emergence of the most recent example: tiaraurilRajni Dhiman, Satyavisal Pen, Pradeep Kumar Chandrakumar, et al.
Small (Weinheim an Der Bergstrasse, Germany)|October 19, 2018
Photoactivity and Stability Co-Enhancement: When Localized Plasmons Meet Oxygen Vacancies in MgOZhengqing Liu, Ziyang Lu, Michel Bosman, et al.
Scientific Reports|September 1, 2017
Colossal permittivity behavior and its origin in rutile (Mg<sub>1/3</sub>Ta<sub>2/3</sub>)<sub>x</sub>Ti<sub>1-x</sub>O<sub>2</sub>Wen Dong, Dehong Chen, Wanbiao Hu, et al.
Pageof 5

Showing results (31-40 of 46) with videos related to

Sort By:
Pageof 5
Nature Communications|April 14, 2018
Calculating curly arrows from ab initio wavefunctionsYu Liu, Philip Kilby, Terry J Frankcombe, et al.
The Journal of Physical Chemistry. B|July 21, 2006
Orbital-free density functional theory applied to NaAlH4Terry J Frankcombe, Geert-Jan Kroes, Nicholas I Choly, et al.
Journal of Chemical Theory and Computation|September 8, 2025
Visualizing Electronic Vibrations on the Wave Function Tiles of the Low-Lying Singlet Excited States of BenzeneHui Zhang, Terry J Frankcombe, Timothy W Schmidt, et al.
The Journal of Physical Chemistry. B|January 5, 2016
Deprotonation of Water/Hydroxo Ligands in Clusters Mimicking the Water Oxidizing Complex of PSII and Its Effect on the Vibrational Frequencies of Ligated Carboxylate GroupsWooi Yee Chuah, Rob Stranger, Ron J Pace, et al.
Physical Chemistry Chemical Physics : PCCP|July 10, 2019
Prominent out-of-plane diffraction in helium scattering from a methyl-terminated Si(111) surfaceMarcos Del Cueto, Alberto S Muzas, Terry J Frankcombe, et al.
The Journal of Physical Chemistry. A|September 1, 2015
H2 Adsorption in a Porous Crystal: Accurate First-Principles Quantum SimulationJordan H D'Arcy, Meredith J T Jordan, Terry J Frankcombe, et al.
The Journal of Physical Chemistry. B|March 11, 2014
Ab Initio modeling of the effect of oxidation coupled with HnO deprotonation on carboxylate ligands in Mn/Ca clustersWooi Yee Chuah, Rob Stranger, Ron J Pace, et al.
Chemical Communications (Cambridge, England)|February 20, 2020
Glycoluril derived cucurbituril analogues and the emergence of the most recent example: tiaraurilRajni Dhiman, Satyavisal Pen, Pradeep Kumar Chandrakumar, et al.
Small (Weinheim an Der Bergstrasse, Germany)|October 19, 2018
Photoactivity and Stability Co-Enhancement: When Localized Plasmons Meet Oxygen Vacancies in MgOZhengqing Liu, Ziyang Lu, Michel Bosman, et al.
Scientific Reports|September 1, 2017
Colossal permittivity behavior and its origin in rutile (Mg<sub>1/3</sub>Ta<sub>2/3</sub>)<sub>x</sub>Ti<sub>1-x</sub>O<sub>2</sub>Wen Dong, Dehong Chen, Wanbiao Hu, et al.
Pageof 5