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ACS Nano
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September 7, 2021
Osmotic Transport at the Aqueous Graphene and hBN Interfaces: Scaling Laws from a Unified, First-Principles Description
Laurent Joly, Robert H Meißner, Marcella Iannuzzi, et al.
The Journal of Chemical Physics
|
January 7, 2023
Low-frequency anharmonic couplings in crystalline bromoform: Theory
Beliz Sertcan, Seyyed Jabbar Mousavi, Marcella Iannuzzi, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 17, 2004
Influence of DNA structure on the reactivity of the guanine radical cation
Francesco Luigi Gervasio, Alessandro Laio, Marcella Iannuzzi, et al.
Journal of the American Chemical Society
|
August 31, 2006
Dissociation mechanism of acetic acid in water
Jung Mee Park, Alessandro Laio, Marcella Iannuzzi, et al.
Nanoscale
|
May 18, 2013
Structural and electronic properties of a large-scale Moiré pattern of hexagonal boron nitride on Cu(111) studied with density functional theory
Ralph Koitz, Ari P Seitsonen, Marcella Iannuzzi, et al.
Chimia
|
December 2, 2014
Chemical Reactions on Metal-supported Hexagonal Boron Nitride Investigated with Density Functional Theory
Pauline Bacle, Ari Paavo Seitsonen, Marcella Iannuzzi, et al.
The Journal of Chemical Physics
|
February 8, 2023
A variational formulation of the Harris functional as a correction to approximate Kohn-Sham density functional theory
Fabian Belleflamme, Anna-Sophia Hehn, Marcella Iannuzzi, et al.
ACS Nano
|
June 18, 2014
Two-nanometer voids in single-layer hexagonal boron nitride: formation via the "can-opener" effect and annihilation by self-healing
Huanyao Cun, Marcella Iannuzzi, Adrian Hemmi, et al.
Chemsuschem
|
May 27, 2017
Mapping the Free Energy of Lithium Solvation in the Protic Ionic Liquid Ethylammonuim Nitrate: A Metadynamics Study
Ali Kachmar, Marcelo Carignano, Teodoro Laino, et al.
Journal of Chemical Theory and Computation
|
November 22, 2018
Energy Decomposition Analysis for Metal Surface-Adsorbate Interactions by Block Localized Wave Functions
Ruben Staub, Marcella Iannuzzi, Rustam Z Khaliullin, et al.
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of 11
Search research articles
Search
Showing results (31-40 of 103) with videos related to
Sort By:
Page
of 11
ACS Nano
|
September 7, 2021
Osmotic Transport at the Aqueous Graphene and hBN Interfaces: Scaling Laws from a Unified, First-Principles Description
Laurent Joly, Robert H Meißner, Marcella Iannuzzi, et al.
The Journal of Chemical Physics
|
January 7, 2023
Low-frequency anharmonic couplings in crystalline bromoform: Theory
Beliz Sertcan, Seyyed Jabbar Mousavi, Marcella Iannuzzi, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 17, 2004
Influence of DNA structure on the reactivity of the guanine radical cation
Francesco Luigi Gervasio, Alessandro Laio, Marcella Iannuzzi, et al.
Journal of the American Chemical Society
|
August 31, 2006
Dissociation mechanism of acetic acid in water
Jung Mee Park, Alessandro Laio, Marcella Iannuzzi, et al.
Nanoscale
|
May 18, 2013
Structural and electronic properties of a large-scale Moiré pattern of hexagonal boron nitride on Cu(111) studied with density functional theory
Ralph Koitz, Ari P Seitsonen, Marcella Iannuzzi, et al.
Chimia
|
December 2, 2014
Chemical Reactions on Metal-supported Hexagonal Boron Nitride Investigated with Density Functional Theory
Pauline Bacle, Ari Paavo Seitsonen, Marcella Iannuzzi, et al.
The Journal of Chemical Physics
|
February 8, 2023
A variational formulation of the Harris functional as a correction to approximate Kohn-Sham density functional theory
Fabian Belleflamme, Anna-Sophia Hehn, Marcella Iannuzzi, et al.
ACS Nano
|
June 18, 2014
Two-nanometer voids in single-layer hexagonal boron nitride: formation via the "can-opener" effect and annihilation by self-healing
Huanyao Cun, Marcella Iannuzzi, Adrian Hemmi, et al.
Chemsuschem
|
May 27, 2017
Mapping the Free Energy of Lithium Solvation in the Protic Ionic Liquid Ethylammonuim Nitrate: A Metadynamics Study
Ali Kachmar, Marcelo Carignano, Teodoro Laino, et al.
Journal of Chemical Theory and Computation
|
November 22, 2018
Energy Decomposition Analysis for Metal Surface-Adsorbate Interactions by Block Localized Wave Functions
Ruben Staub, Marcella Iannuzzi, Rustam Z Khaliullin, et al.
Page
of 11