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The Journal of Physical Chemistry. A
|
March 4, 2011
Molybdenum oxides versus molybdenum sulfides: geometric and electronic structures of Mo₃X(y)⁻ (X = O, S and y = 6, 9) clusters
Nicholas J Mayhall, Edwin L Becher, Arefin Chowdhury, et al.
The Journal of Physical Chemistry. A
|
April 4, 2009
Investigation of Gaussian4 theory for transition metal thermochemistry
Nicholas J Mayhall, Krishnan Raghavachari, Paul C Redfern, et al.
Nature Communications
|
July 10, 2019
An adaptive variational algorithm for exact molecular simulations on a quantum computer
Harper R Grimsley, Sophia E Economou, Edwin Barnes, et al.
Journal of Chemical Theory and Computation
|
June 10, 2024
Physically Motivated Improvements of Variational Quantum Eigensolvers
Nonia Vaquero-Sabater, Abel Carreras, Román Orús, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 19, 2014
Spin-flip non-orthogonal configuration interaction: a variational and almost black-box method for describing strongly correlated molecules
Nicholas J Mayhall, Paul R Horn, Eric J Sundstrom, et al.
The Journal of Chemical Physics
|
April 17, 2008
Toward accurate thermochemical models for transition metals: G3Large basis sets for atoms Sc-Zn
Nicholas J Mayhall, Krishnan Raghavachari, Paul C Redfern, et al.
The Journal of Chemical Physics
|
April 2, 2009
Electronic structures of MoWO(y)- and MoWO(y) determined by anion photoelectron spectroscopy and DFT calculations
Nicholas J Mayhall, David W Rothgeb, Ekram Hossain, et al.
Journal of Chemical Theory and Computation
|
December 17, 2019
Is the Trotterized UCCSD Ansatz Chemically Well-Defined?
Harper R Grimsley, Daniel Claudino, Sophia E Economou, et al.
The Journal of Chemical Physics
|
October 17, 2009
Water reactivity with tungsten oxides: H(2) production and kinetic traps
Nicholas J Mayhall, David W Rothgeb, Ekram Hossain, et al.
The Journal of Chemical Physics
|
October 17, 2009
Termination of the W(2)O(y) (-)+H(2)O/D(2)O-->W(2)O(y+1) (-)+H(2)/D(2) sequential oxidation reaction: An exploration of kinetic versus thermodynamic effects
David W Rothgeb, Ekram Hossain, Nicholas J Mayhall, et al.
Page
of 5
Search research articles
Search
Showing results (31-40 of 48) with videos related to
Sort By:
Page
of 5
The Journal of Physical Chemistry. A
|
March 4, 2011
Molybdenum oxides versus molybdenum sulfides: geometric and electronic structures of Mo₃X(y)⁻ (X = O, S and y = 6, 9) clusters
Nicholas J Mayhall, Edwin L Becher, Arefin Chowdhury, et al.
The Journal of Physical Chemistry. A
|
April 4, 2009
Investigation of Gaussian4 theory for transition metal thermochemistry
Nicholas J Mayhall, Krishnan Raghavachari, Paul C Redfern, et al.
Nature Communications
|
July 10, 2019
An adaptive variational algorithm for exact molecular simulations on a quantum computer
Harper R Grimsley, Sophia E Economou, Edwin Barnes, et al.
Journal of Chemical Theory and Computation
|
June 10, 2024
Physically Motivated Improvements of Variational Quantum Eigensolvers
Nonia Vaquero-Sabater, Abel Carreras, Román Orús, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 19, 2014
Spin-flip non-orthogonal configuration interaction: a variational and almost black-box method for describing strongly correlated molecules
Nicholas J Mayhall, Paul R Horn, Eric J Sundstrom, et al.
The Journal of Chemical Physics
|
April 17, 2008
Toward accurate thermochemical models for transition metals: G3Large basis sets for atoms Sc-Zn
Nicholas J Mayhall, Krishnan Raghavachari, Paul C Redfern, et al.
The Journal of Chemical Physics
|
April 2, 2009
Electronic structures of MoWO(y)- and MoWO(y) determined by anion photoelectron spectroscopy and DFT calculations
Nicholas J Mayhall, David W Rothgeb, Ekram Hossain, et al.
Journal of Chemical Theory and Computation
|
December 17, 2019
Is the Trotterized UCCSD Ansatz Chemically Well-Defined?
Harper R Grimsley, Daniel Claudino, Sophia E Economou, et al.
The Journal of Chemical Physics
|
October 17, 2009
Water reactivity with tungsten oxides: H(2) production and kinetic traps
Nicholas J Mayhall, David W Rothgeb, Ekram Hossain, et al.
The Journal of Chemical Physics
|
October 17, 2009
Termination of the W(2)O(y) (-)+H(2)O/D(2)O-->W(2)O(y+1) (-)+H(2)/D(2) sequential oxidation reaction: An exploration of kinetic versus thermodynamic effects
David W Rothgeb, Ekram Hossain, Nicholas J Mayhall, et al.
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of 5