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The Journal of Chemical Physics
|
September 1, 2006
Basis-set extrapolation techniques for the accurate calculation of molecular equilibrium geometries using coupled-cluster theory
Miriam Heckert, Mihály Kállay, David P Tew, et al.
Topics in Current Chemistry
|
December 4, 2014
Halogen bonding in the gas phase: a comparison of the iodine bond in B⋯ICl and B⋯ICF3 for simple Lewis Bases B
J Grant Hill, Anthony C Legon, David P Tew, et al.
The Journal of Physical Chemistry. A
|
March 4, 2015
Chemistry in laser-induced plasmas: formation of M-C≡C-Cl (M = Ag or Cu) and their characterization by rotational spectroscopy
Daniel P Zaleski, David P Tew, Nicholas R Walker, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 30, 2016
H3PAgI: generation by laser-ablation and characterization by rotational spectroscopy and ab initio calculations
Susanna L Stephens, David P Tew, Nicholas R Walker, et al.
The Journal of Chemical Physics
|
September 7, 2013
Explicitly correlated plane waves: accelerating convergence in periodic wavefunction expansions
Andreas Grüneis, James J Shepherd, Ali Alavi, et al.
The Journal of Chemical Physics
|
June 17, 2008
Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface
Yimin Wang, Bastiaan J Braams, Joel M Bowman, et al.
The Journal of Chemical Physics
|
October 22, 2018
Do CCSD and approximate CCSD-F12 variants converge to the same basis set limits? The case of atomization energies
Manoj K Kesharwani, Nitai Sylvetsky, Andreas Köhn, et al.
The Journal of Chemical Physics
|
November 14, 2012
Distortion of ethyne on formation of a π complex with silver chloride: C2H2⋯Ag-Cl characterised by rotational spectroscopy and ab initio calculations
Susanna L Stephens, Wataru Mizukami, David P Tew, et al.
Science Advances
|
March 1, 2023
Grid-based methods for chemistry simulations on a quantum computer
Hans Hon Sang Chan, Richard Meister, Tyson Jones, et al.
The Journal of Chemical Physics
|
February 25, 2012
Molecular geometry of OC···AgI determined by broadband rotational spectroscopy and ab initio calculations
Susanna L Stephens, Wataru Mizukami, David P Tew, et al.
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Search research articles
Search
Showing results (51-60 of 98) with videos related to
Sort By:
Page
of 10
The Journal of Chemical Physics
|
September 1, 2006
Basis-set extrapolation techniques for the accurate calculation of molecular equilibrium geometries using coupled-cluster theory
Miriam Heckert, Mihály Kállay, David P Tew, et al.
Topics in Current Chemistry
|
December 4, 2014
Halogen bonding in the gas phase: a comparison of the iodine bond in B⋯ICl and B⋯ICF3 for simple Lewis Bases B
J Grant Hill, Anthony C Legon, David P Tew, et al.
The Journal of Physical Chemistry. A
|
March 4, 2015
Chemistry in laser-induced plasmas: formation of M-C≡C-Cl (M = Ag or Cu) and their characterization by rotational spectroscopy
Daniel P Zaleski, David P Tew, Nicholas R Walker, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 30, 2016
H3PAgI: generation by laser-ablation and characterization by rotational spectroscopy and ab initio calculations
Susanna L Stephens, David P Tew, Nicholas R Walker, et al.
The Journal of Chemical Physics
|
September 7, 2013
Explicitly correlated plane waves: accelerating convergence in periodic wavefunction expansions
Andreas Grüneis, James J Shepherd, Ali Alavi, et al.
The Journal of Chemical Physics
|
June 17, 2008
Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface
Yimin Wang, Bastiaan J Braams, Joel M Bowman, et al.
The Journal of Chemical Physics
|
October 22, 2018
Do CCSD and approximate CCSD-F12 variants converge to the same basis set limits? The case of atomization energies
Manoj K Kesharwani, Nitai Sylvetsky, Andreas Köhn, et al.
The Journal of Chemical Physics
|
November 14, 2012
Distortion of ethyne on formation of a π complex with silver chloride: C2H2⋯Ag-Cl characterised by rotational spectroscopy and ab initio calculations
Susanna L Stephens, Wataru Mizukami, David P Tew, et al.
Science Advances
|
March 1, 2023
Grid-based methods for chemistry simulations on a quantum computer
Hans Hon Sang Chan, Richard Meister, Tyson Jones, et al.
The Journal of Chemical Physics
|
February 25, 2012
Molecular geometry of OC···AgI determined by broadband rotational spectroscopy and ab initio calculations
Susanna L Stephens, Wataru Mizukami, David P Tew, et al.
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of 10