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Publications by Anna I. Krylov
Implementation of Analytic Gradients for CCSD and EOM-CCSD Using Cholesky Decomposition of the Electron-Repulsion Integrals and Their Derivatives: Theory and Benchmarks
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Complex-Scaled Equation-Of-Motion Coupled-Cluster Method With Single and Double Substitutions for Autoionizing Excited States: Theory, Implementation, and Examples
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Effect of Microhydration on the Electronic Structure of the Chromophores of the Photoactive Yellow and Green Fluorescent Proteins
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Electronic Structure and Spectroscopy of Nucleic Acid Bases: Ionization Energies, Ionization-Induced Structural Changes, and Photoelectron Spectra
Journal of Physical Chemistry A
Medicine
Theoretical Chemistry
Physical
Products of the Benzene + O(3P) Reaction†
Journal of Physical Chemistry A
Medicine
Theoretical Chemistry
Physical
Towards a Rational Design of Laser-Coolable Molecules: Insights From Equation-Of-Motion Coupled-Cluster Calculations
Towards a Rational Design of Laser-Coolable Molecules: Insights From Equation-Of-Motion Coupled-Cluster Calculations
Small Doped [Sup 3]He Clusters: A Systematic Quantum Chemistry Approach to Fermionic Nuclear Wave Functions and Energies
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Singlet-Triplet Gaps in Diradicals by the Spin-Flip Approach: A Benchmark Study
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Electronic Structure of Halogen-Substituted Methyl Radicals: Excited States of CH2Cl and CH2F
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
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