Microsoft Research

What is Density Functional Theory (DFT)

6 months ago - 4:41

Scuola Normale Superiore

Claudio Greco, A DFT study of the influences of key amino acid mutation... - September 27, 2013

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Research Award

Hydrogen Storage & Solar Splitting: Rb2AlXH6 Perovskitesc #sciencefather #researchawards #DFTStudy

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BatteryGroup Tu Delft

Molecular Dynamics - DFT study for Li4Ti5O12 (LTO) in Li-ion Batteries

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nanoCAFÉ

A DFT study of bubble gating - Roland Roth

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BP International

A DFT Study on Adsorption Behavior of CO onPristine and Doped B 12 P 12 Nanocage

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Erick Israel Valdez Nuñez

DFT study on organic solar cells based in BTP and PM6 molecules

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little chemist

Density Functional Theory ll DFT

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Adrea Snow

DFT Study of Ionic Liquids in the B-Graphene Catalysed Nitrogen Reduction Reaction

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Jonathan Friedman

Talat Rahman: A DFT Study of Single-Molecule Magnets (Mn3 Dimers)

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Video History of Catalysis

M. Witko: Electronic Properties of MoO3- a DFT study

Introduction ...

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Siesta India : Hands on Tutorials on Molecular Modeling

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Akari Narayama Sosa Camposeco

DFT study of adsorption of toxic gases on Pd decorated germanene

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Vitaliy Yurkiv

DFT Study of Li diffusion through the SEI in Li-ion battery

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BP International

Crystal Structure, DFT Study, Hirshfeld Surface Analysis and Energy Frameworks Investigation

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Raúl Mendoza Báez

Structural and Electronic Properties Analysis of Boron Phosphide Nanotubes: A DFT Study

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Cine Energy

IV CINE-CMSC Workshop: "DFT study of H2 and CH4 adsorption ...", by Dr. Sara F. de A. Morais, IQ/USP

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CDMF FAPESP

Magnetism and multiferroic properties at MnTiO3 surfaces: A DFT study

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ARIEL R. BALINAS

24thSPVMNationalPhysicsConference:DFT Study of the NMR Parameters of Bi@SWCNT System-Ariel Balinas

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Dr. Dheeraj Kumar Pandey

A DFT study of structural and electronic properties of ZnSe Nanocluster

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CHPC Conference 2021

DUPLICATE Shivania Naidoo(PhD): Proposed DFT study for the N-alkylation of amines

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Nicholas Pulliam, PhD

Density Functional Theory: A Beginner's Guide

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Electrical Research

Pressure-Driven Semiconductor-Metal Transition in 2D InSiTe3 | DFT Study

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Enrique Guerrero

DFT Study of MoS2 for Application in Space Lubrication

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STEM3M

Elsevier Diamond Conference 2021- DFT Study of Defects in Sulphur & Fluorine Co-doped Diamond

4 years ago - 2:00

BP International

A DFT Study of Structural, Electronic and Electronstatic Properties of Substituted Piperidone Phenyl

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BP International

DFT Study of Structural, Electronic and Magnetic Properties of In0.75Cr0.25P

1 year ago - 2:27

BP International

Determining the Informatics and Conceptual DFT Study of Pigments Derived from Carotenoids of Marine

3 years ago - 2:01

Quantum Battery Team

ICQE23 Day 1 Pradeep Murthy - DFT Study of CO2 Hydrogenation Mechanisms over Ruthenium Nanoparticles

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Youssef El Arfaoui, Ph.D

DFT study of the optoelectronic properties of FASiI3 perovskite using Quantum espresso for PV app.

2 years ago - 1:30

CHEM2035

PRESENTATION ON THE DFT STUDY OF BENZOYL THIOUREA DERIVATIVES

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BP International

Sensing Application of Ni-Doped WS₂ on Industrial Pollutants - A DFT Approach

8 months ago - 3:10

BrothersDiscovers

Unlocking molecules with DFT

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CHPC Conference 2021

Brian Ramogayana (PhD): The effect niobium doping on the major spinel LiMn2O4 surfaces: DFT study

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CINE-CMD & QTNano Group

IV CINE-CMSC: "DFT study of H2 and CH4 adsorption at Cu-SSZ-13", by Sara F. de A. Morais, IF/USP

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Bioinformatics Insights

DFT Made Simple: Step-by-Step Guide for Beginners

11 months ago - 43:05

BP International

A DFT Study on Theoretical Investigation of Application of Combining Pristine C60 and doped C60 with

3 years ago - 3:20

European Structural Integrity Society

THE EFFECT OF PRECIPITATE CHEMISTRY ON HYDROGEN TRAPPING A DFT STUDY ON TI,VC,N

11 months ago - 13:30

ScienoTec

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NICIS

Guy Maurel Dzifack Kenfack - Optoelectrical, electronic, and thermodynamic DFT study

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AmsterdamDensityFunctional

ADF-DFTB tutorial 1: charges, frequencies and MD

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ScienoTec

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Dr. H Ismail

How to Run DFT Calculations of Nanoparticles with ORCA | Free Software & Gaussian Alternative

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ResearchWatch

Sensor applications of polypyrrole for oxynitrogen analytes: a DFT study

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Santa Fe is the way

IV13 - Lithium charge transfer to Graphene and Molybdenum Disulfide: A DFT Study

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Chemical Science Teaching

How to perform Energy DFT calculation & how to draw HOMO-LUMO in Gauss view using Gaussian?

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Advanced Cyberinfrastructure Training at RPI

Density Functional Theory Calculations of Defects (2019)

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CompChem Hub

Welcome to CompChemHub – the hub of Computational Chemistry learning made simple! This channel is built for students, ...

@CompChemHub-123 subscribers

The GAMESSINO AAK

DFT Calculations| DFT with Mac Tutorials (Tutorial-01)

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MARIE CARMEL MICOMPAL

2022 ICAFMN: DFT Study of Carbon Nanotube - Cellulose Nanocrystals-Marie Carmel M. Micompal

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Density Functional Theory (DFT) Calculations Made Easy

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Lahcen Ait Lamine

[May 20, 2024] Lahcen Ait Lamine - DFT Study on ZnO | CMIC 2024 Presentation

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