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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 7, 2005
Current densities and nucleus-independent chemical shift maps from reciprocal-space density functional perturbation theory calculations
Daniel Sebastiani
The Journal of Chemical Physics
|
October 12, 2018
Simulating structure and dynamics in small droplets of 1-ethyl-3-methylimidazolium acetate
Martin Brehm, Daniel Sebastiani
Physical Chemistry Chemical Physics : PCCP
|
August 13, 2011
Approaches to the solvation of the molecular probe N-methyl-6-quinolone in its excited state
Christoph Allolio, Daniel Sebastiani
Journal of Computational Chemistry
|
January 3, 2013
Spectroscopic fingerprints of toroidal nuclear quantum delocalization via ab initio path integral simulations
Ole Schütt, Daniel Sebastiani
Journal of Computational Chemistry
|
November 13, 2015
Moment expansion of the linear density-density response function
Arne Scherrer, Daniel Sebastiani
Physical Chemistry Chemical Physics : PCCP
|
March 11, 2020
Effect of anion reorientation on proton mobility in the solid acids family CsH<sub>y</sub>XO<sub>4</sub> (X = S, P, Se, y = 1, 2) from ab initio molecular dynamics simulations
Christian Dreßler, Daniel Sebastiani
Journal of Chemical Theory and Computation
|
November 27, 2015
Optimization of Capping Potentials for Spectroscopic Parameters in Hybrid Quantum Mechanical/Mechanical Modeling Calculations
Sittipong Komin, Daniel Sebastiani
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 31, 2002
Ab-initio study of NMR chemical shifts of water under normal and supercritical conditions
Daniel Sebastiani, Michele Parrinello
The Journal of Chemical Physics
|
December 18, 2016
Methyl rotor quantum states and the effect of chemical environment in organic crystals: γ-picoline and toluene
Somayeh Khazaei, Daniel Sebastiani
Molecules (Basel, Switzerland)
|
December 1, 2020
Carbon Atoms Speaking Out: How the Geometric Sensitivity of <sup>13</sup>C Chemical Shifts Leads to Understanding the Colour Tuning of Phycocyanobilin in Cph1 and AnPixJ
Sascha Jähnigen, Daniel Sebastiani
Page
of 11
Search research articles
Search
Showing results (1-10 of 105) with videos related to
Sort By:
Page
of 11
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 7, 2005
Current densities and nucleus-independent chemical shift maps from reciprocal-space density functional perturbation theory calculations
Daniel Sebastiani
The Journal of Chemical Physics
|
October 12, 2018
Simulating structure and dynamics in small droplets of 1-ethyl-3-methylimidazolium acetate
Martin Brehm, Daniel Sebastiani
Physical Chemistry Chemical Physics : PCCP
|
August 13, 2011
Approaches to the solvation of the molecular probe N-methyl-6-quinolone in its excited state
Christoph Allolio, Daniel Sebastiani
Journal of Computational Chemistry
|
January 3, 2013
Spectroscopic fingerprints of toroidal nuclear quantum delocalization via ab initio path integral simulations
Ole Schütt, Daniel Sebastiani
Journal of Computational Chemistry
|
November 13, 2015
Moment expansion of the linear density-density response function
Arne Scherrer, Daniel Sebastiani
Physical Chemistry Chemical Physics : PCCP
|
March 11, 2020
Effect of anion reorientation on proton mobility in the solid acids family CsH<sub>y</sub>XO<sub>4</sub> (X = S, P, Se, y = 1, 2) from ab initio molecular dynamics simulations
Christian Dreßler, Daniel Sebastiani
Journal of Chemical Theory and Computation
|
November 27, 2015
Optimization of Capping Potentials for Spectroscopic Parameters in Hybrid Quantum Mechanical/Mechanical Modeling Calculations
Sittipong Komin, Daniel Sebastiani
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 31, 2002
Ab-initio study of NMR chemical shifts of water under normal and supercritical conditions
Daniel Sebastiani, Michele Parrinello
The Journal of Chemical Physics
|
December 18, 2016
Methyl rotor quantum states and the effect of chemical environment in organic crystals: γ-picoline and toluene
Somayeh Khazaei, Daniel Sebastiani
Molecules (Basel, Switzerland)
|
December 1, 2020
Carbon Atoms Speaking Out: How the Geometric Sensitivity of <sup>13</sup>C Chemical Shifts Leads to Understanding the Colour Tuning of Phycocyanobilin in Cph1 and AnPixJ
Sascha Jähnigen, Daniel Sebastiani
Page
of 11