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Physical Chemistry Chemical Physics : PCCP|June 17, 2015
Discrete variable representation of the Smoluchowski equation using a sinc basis setAndrea Piserchia, Vincenzo BaroneJournal of Chemical Theory and Computation|July 13, 2016
Toward a General Yet Effective Computational Approach for Diffusive Problems: Variable Diffusion Tensor and DVR Solution of the Smoluchowski Equation along a General One-Dimensional CoordinateAndrea Piserchia, Vincenzo BaroneJournal of Chemical Theory and Computation|November 2, 2017
General Approach to Coupled Reactive Smoluchowski Equations: Integration and Application of Discrete Variable Representation and Generalized Coordinate Methods to Diffusive ProblemsAndrea Piserchia, Shiladitya Banerjee, Vincenzo BaronePhysical Chemistry Chemical Physics : PCCP|February 28, 2015
Probing the conformational energetics of alkyl thiols on gold surfaces by means of a morphing/steering non-equilibrium toolAndrea Piserchia, Mirco Zerbetto, Diego FrezzatoJournal of Computational Chemistry|August 5, 2014
Looking for some free energy? Call JEFREE (…)Mirco Zerbetto, Andrea Piserchia, Diego FrezzatoThe Journal of Chemical Physics|July 23, 2004
Vibrational zero-point energies and thermodynamic functions beyond the harmonic approximationVincenzo BaroneThe Journal of Chemical Physics|August 22, 2023
PCS/Bonds and PCS0: Pick your molecule and get its accurate structure and ground state rotational constants at DFT costVincenzo BaroneThe Journal of Chemical Physics|June 5, 2026
Tensor structure and transport of centrifugal distortion constants: A representation-independent framework connecting spectroscopy and quantum chemistry beyond the linear regimeVincenzo BaronePhysical Chemistry Chemical Physics : PCCP|August 17, 2023
Accurate structures and spectroscopic parameters of α,α-dialkylated α-amino acids in the gas-phase: a joint venture of DFT and wave-function composite methodsVincenzo BaroneThe Journal of Physical Chemistry Letters|June 21, 2023
Accuracy Meets Feasibility for the Structures and Rotational Constants of the Molecular Bricks of Life: A Joint Venture of DFT and Wave-Function MethodsVincenzo BaronePageof 50