# SEARCH

** A first-principles method for polymers **

** Application of First Principles Density Functional Theory (DFT) to Polymers **

** Application of the First Principle Model to Spacecraft Operations for Aging **

** Assessing the Fraction of Boroxol Rings from First-Principles **

** Boroxol Rings in Crystalline Structures Predictions of New B2O3 Polymorphs from First-Principles **

** Chromatography Basic Principles, Sample Preparations and Related Methods, First Edition **

** Differentiation from first principle **

** Discrete variational methods first-principles calculations **

** Distillation models, first-principle **

** Elastic constants first-principles calculation **

** Electrocatalytic reaction systems from first principles **

** Electronic structure first-principle calculations **

** First Principles Electronic Structure Methods **

** First Principles Quantum Dynamical Study of Four-Atom Reactions **

** First Principles Simulations Models **

** First principle MD simulations **

** First principle molecular dynamics FPMD) **

** First principle molecular dynamics FPMD) simulations **

** First principles calculations computational procedure **

** First principles calculations model clusters **

** First principles calculations previous studies **

** First principles calculations results **

** First principles method for predicting protein **

** First principles molecular dynamics simulations of **

** First principles simulations of high **

** First principles simulations of high explosives **

** First-Principle Simulation in Materials Science **

** First-Principle Studies of Nanostructures **

** First-Principles Approaches to Understanding Heterogeneous Catalysis **

** First-Principles Calculations of the Total Energy **

** First-Principles Implicit Correlation Functionals **

** First-Principles Modeling of Binary Chalcogenides Recent Accomplishments and New Achievements **

** First-principle calculations future application **

** First-principle design, implementation **

** First-principle stress criterion **

** First-principles Methods for Predicting Protein Structure **

** First-principles bottom-up methodology **

** First-principles calculations defined **

** First-principles calculations, solid-state **

** First-principles electronic structure **

** First-principles electronic structure results **

** First-principles models, application **

** First-principles molecular dynamics **

** First-principles molecular dynamics method **

** First-principles molecular dynamics simulations **

** First-principles perturbative approach **

** First-principles quantum chemical **

** First-principles quantum chemical methods **

** First-principles theoretical studies **

** First-principles thermochemistry **

** Heterogeneous catalysis first-principles thermodynamic **

** Indexing from first principles **

** Molecular orbitals first principles calculations **

** Molten Salts from First Principles to Material Properties **

** Multielectron methods first principles calculations **

** Multiplet structures first principles calculations **

** Optimisation Framework Using First Principle Model **

** Permeability first-principles calculation **

** Phase stabilities first principle calculations **

** Predictions from First Principles **

** Principles of Inorganic Chemistry, First Edition. Brian W. Pfennig **

** Property Determination from First Principles **

** Proteins first principles methods **

** Pseudopotential first-principles calculations **

** Radial distribution functions from first principle **

** Secondary Ion Mass Spectrometry: An Introduction to Principles and Practices, First Edition **

** Silicon first principles theory **

** Structure solution from first principle **

** The First and Second Principle of Photochemistry **