Search research articles
Contact Us
Filters
Showing results (1-10 of 84) with videos related to
Page
of 9
Sort By:
Physical Chemistry Chemical Physics : PCCP
|
June 12, 2010
Infrared spectroscopy of the alanine dipeptide analog in liquid water with DFT-MD. Direct evidence for P(II)/beta conformations
Marie-Pierre Gaigeot
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
May 30, 2021
Some opinions on MD-based vibrational spectroscopy of gas phase molecules and their assembly: An overview of what has been achieved and where to go
Marie-Pierre Gaigeot
Physical Chemistry Chemical Physics : PCCP
|
March 26, 2010
Theoretical spectroscopy of floppy peptides at room temperature. A DFTMD perspective: gas and aqueous phase
Marie-Pierre Gaigeot
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 8, 2012
Liquid-solid interfaces: structure and dynamics from spectroscopy and simulations
Marie-Pierre Gaigeot, Marialore Sulpizi
Physical Chemistry Chemical Physics : PCCP
|
April 2, 2010
DFT-MD and vibrational anharmonicities of a phosphorylated amino acid. Success and failure
Alvaro Cimas, Marie-Pierre Gaigeot
Topics in Current Chemistry
|
April 15, 2015
Theoretical methods for vibrational spectroscopy and collision induced dissociation in the gas phase
Marie-Pierre Gaigeot, Riccardo Spezia
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 8, 2012
Oxide/water interfaces: how the surface chemistry modifies interfacial water properties
Marie-Pierre Gaigeot, Michiel Sprik, Marialore Sulpizi
Journal of Chemical Theory and Computation
|
November 24, 2015
The Silica-Water Interface: How the Silanols Determine the Surface Acidity and Modulate the Water Properties
Marialore Sulpizi, Marie-Pierre Gaigeot, Michiel Sprik
The Journal of Chemical Physics
|
May 10, 2018
2D-HB-Network at the air-water interface: A structural and dynamical characterization by means of ab initio and classical molecular dynamics simulations
Simone Pezzotti, Alessandra Serva, Marie-Pierre Gaigeot
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
February 12, 2014
Density functional theory across chemistry, physics and biology
Tanja van Mourik, Michael Bühl, Marie-Pierre Gaigeot
Page
of 9
Search research articles
Search
Showing results (1-10 of 84) with videos related to
Sort By:
Page
of 9
Physical Chemistry Chemical Physics : PCCP
|
June 12, 2010
Infrared spectroscopy of the alanine dipeptide analog in liquid water with DFT-MD. Direct evidence for P(II)/beta conformations
Marie-Pierre Gaigeot
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
May 30, 2021
Some opinions on MD-based vibrational spectroscopy of gas phase molecules and their assembly: An overview of what has been achieved and where to go
Marie-Pierre Gaigeot
Physical Chemistry Chemical Physics : PCCP
|
March 26, 2010
Theoretical spectroscopy of floppy peptides at room temperature. A DFTMD perspective: gas and aqueous phase
Marie-Pierre Gaigeot
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 8, 2012
Liquid-solid interfaces: structure and dynamics from spectroscopy and simulations
Marie-Pierre Gaigeot, Marialore Sulpizi
Physical Chemistry Chemical Physics : PCCP
|
April 2, 2010
DFT-MD and vibrational anharmonicities of a phosphorylated amino acid. Success and failure
Alvaro Cimas, Marie-Pierre Gaigeot
Topics in Current Chemistry
|
April 15, 2015
Theoretical methods for vibrational spectroscopy and collision induced dissociation in the gas phase
Marie-Pierre Gaigeot, Riccardo Spezia
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 8, 2012
Oxide/water interfaces: how the surface chemistry modifies interfacial water properties
Marie-Pierre Gaigeot, Michiel Sprik, Marialore Sulpizi
Journal of Chemical Theory and Computation
|
November 24, 2015
The Silica-Water Interface: How the Silanols Determine the Surface Acidity and Modulate the Water Properties
Marialore Sulpizi, Marie-Pierre Gaigeot, Michiel Sprik
The Journal of Chemical Physics
|
May 10, 2018
2D-HB-Network at the air-water interface: A structural and dynamical characterization by means of ab initio and classical molecular dynamics simulations
Simone Pezzotti, Alessandra Serva, Marie-Pierre Gaigeot
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
February 12, 2014
Density functional theory across chemistry, physics and biology
Tanja van Mourik, Michael Bühl, Marie-Pierre Gaigeot
Page
of 9