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Physical Chemistry Chemical Physics : PCCP
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November 4, 2008
Carbohydrate-protein recognition probed by density functional theory and ab initio calculations including dispersive interactions
Rajesh K Raju, Anitha Ramraj, Mark A Vincent, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 12, 2009
Which density functional should be used to study actinyl complexes?
Jonathan P Austin, Neil A Burton, Ian H Hillier, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2009
Carbohydrate-aromatic pi interactions: a test of density functionals and the DFT-D method
Rajesh K Raju, Anitha Ramraj, Ian H Hillier, et al.
The Journal of Chemical Physics
|
March 25, 2006
Exploring reaction pathways with transition path and umbrella sampling: application to methyl maltoside
Richard J Dimelow, Richard A Bryce, Andrew J Masters, et al.
Journal of Chemical Theory and Computation
|
December 3, 2015
Density Functional and Semiempirical Molecular Orbital Methods Including Dispersion Corrections for the Accurate Description of Noncovalent Interactions Involving Sulfur-Containing Molecules
Claudio A Morgado, Jonathan P McNamara, Ian H Hillier, et al.
Chemical Communications (Cambridge, England)
|
January 15, 2011
Low temperature CVD growth of PbS films on plastic substrates
Javeed Akhtar, Mohammad Afzaal, Mark A Vincent, et al.
Faraday Discussions
|
January 31, 2003
Direct dynamics calculations of reaction rate and kinetic isotope effects in enzyme catalysed reactions
Gary Tresadern, Sara Nunez, Paul F Faulder, et al.
Plos Pathogens
|
May 2, 2013
Parallel exploitation of diverse host nutrients enhances Salmonella virulence
Benjamin Steeb, Beatrice Claudi, Neil A Burton, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 3, 2010
The effects of perfluorination on carbohydrate-pi interactions: computational studies of the interaction of benzene and hexafluorobenzene with fucose and cyclodextrin
Rajesh K Raju, Ian H Hillier, Neil A Burton, et al.
Faraday Discussions
|
March 3, 2007
The dithiolene ligand--'innocent' or 'non-innocent'? A theoretical and experimental study of some cobalt-dithiolene complexes
Ganga Periyasamy, Neil A Burton, Ian H Hillier, et al.
Page
of 6
Search research articles
Search
Showing results (31-40 of 51) with videos related to
Sort By:
Page
of 6
Physical Chemistry Chemical Physics : PCCP
|
November 4, 2008
Carbohydrate-protein recognition probed by density functional theory and ab initio calculations including dispersive interactions
Rajesh K Raju, Anitha Ramraj, Mark A Vincent, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 12, 2009
Which density functional should be used to study actinyl complexes?
Jonathan P Austin, Neil A Burton, Ian H Hillier, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2009
Carbohydrate-aromatic pi interactions: a test of density functionals and the DFT-D method
Rajesh K Raju, Anitha Ramraj, Ian H Hillier, et al.
The Journal of Chemical Physics
|
March 25, 2006
Exploring reaction pathways with transition path and umbrella sampling: application to methyl maltoside
Richard J Dimelow, Richard A Bryce, Andrew J Masters, et al.
Journal of Chemical Theory and Computation
|
December 3, 2015
Density Functional and Semiempirical Molecular Orbital Methods Including Dispersion Corrections for the Accurate Description of Noncovalent Interactions Involving Sulfur-Containing Molecules
Claudio A Morgado, Jonathan P McNamara, Ian H Hillier, et al.
Chemical Communications (Cambridge, England)
|
January 15, 2011
Low temperature CVD growth of PbS films on plastic substrates
Javeed Akhtar, Mohammad Afzaal, Mark A Vincent, et al.
Faraday Discussions
|
January 31, 2003
Direct dynamics calculations of reaction rate and kinetic isotope effects in enzyme catalysed reactions
Gary Tresadern, Sara Nunez, Paul F Faulder, et al.
Plos Pathogens
|
May 2, 2013
Parallel exploitation of diverse host nutrients enhances Salmonella virulence
Benjamin Steeb, Beatrice Claudi, Neil A Burton, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 3, 2010
The effects of perfluorination on carbohydrate-pi interactions: computational studies of the interaction of benzene and hexafluorobenzene with fucose and cyclodextrin
Rajesh K Raju, Ian H Hillier, Neil A Burton, et al.
Faraday Discussions
|
March 3, 2007
The dithiolene ligand--'innocent' or 'non-innocent'? A theoretical and experimental study of some cobalt-dithiolene complexes
Ganga Periyasamy, Neil A Burton, Ian H Hillier, et al.
Page
of 6