Notice détaillée
Titre
Kapil, Venkat
Sciper ID
263953
Laboratoires affiliés
COSMO
Publications
A complete description of thermodynamic stabilities of molecular crystals
Anisotropy of the Proton Momentum Distribution in Water
Barely porous organic cages for hydrogen isotope separation
Fine tuning classical and quantum molecular dynamics using a generalized Langevin equation
Hydrogen dynamics in solid formic acid: insights from simulations with quantum colored-noise thermostats
Importance of Nuclear Quantum Effects for NMR Crystallography
Inexpensive modeling of quantum dynamics using path integral generalized Langevin equation thermostats
Modeling the Structural and Thermal Properties of Loaded Metal–Organic Frameworks. An Interplay of Quantum and Anharmonic Fluctuations
Simulating the ghost: quantum dynamics of the solvated electron
Thermal Engineering of Metal-Organic Frameworks for Adsorption Applications: A Molecular Simulation Perspective
Voir toutes les publications (16)
Anisotropy of the Proton Momentum Distribution in Water
Barely porous organic cages for hydrogen isotope separation
Fine tuning classical and quantum molecular dynamics using a generalized Langevin equation
Hydrogen dynamics in solid formic acid: insights from simulations with quantum colored-noise thermostats
Importance of Nuclear Quantum Effects for NMR Crystallography
Inexpensive modeling of quantum dynamics using path integral generalized Langevin equation thermostats
Modeling the Structural and Thermal Properties of Loaded Metal–Organic Frameworks. An Interplay of Quantum and Anharmonic Fluctuations
Simulating the ghost: quantum dynamics of the solvated electron
Thermal Engineering of Metal-Organic Frameworks for Adsorption Applications: A Molecular Simulation Perspective
Voir toutes les publications (16)
Employé pour
kapil, Venkat
Kapil, V.
Kapil, V.
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