Accurate Excited-State Geometries: A CASPT2 and Coupled-Cluster Reference Database for Small Molecules.

about

Accurate Excited-State Geometries: A CASPT2 and Coupled-Cluster Reference Database for Small Molecules.

Item

http://www.wikidata.org/entity/Q47115803

description

2017 nî lūn-bûn

@nan

2017年の論文

@ja

2017年学术文章

@wuu

2017年学术文章

@zh

2017年学术文章

@zh-cn

2017年学术文章

@zh-hans

2017年学术文章

@zh-my

2017年学术文章

@zh-sg

2017年學術文章

@yue

2017年學術文章

@zh-hant

name

Accurate Excited-State Geometr ...... Database for Small Molecules.

@en

Accurate Excited-State Geometr ...... Database for Small Molecules.

@nl

type

Item

label

Accurate Excited-State Geometr ...... Database for Small Molecules.

@en

Accurate Excited-State Geometr ...... Database for Small Molecules.

@nl

prefLabel

Accurate Excited-State Geometr ...... Database for Small Molecules.

@en

Accurate Excited-State Geometr ...... Database for Small Molecules.

@nl

P1476

Accurate Excited-State Geometr ...... Database for Small Molecules.

@en

P2093

Giovanni Scalmani

http://www.w3.org/2001/XMLSchema#string

P2860

Molcas8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table

The Dalton quantum chemistry program system

Extended multi-configuration quasi-degenerate perturbation theory: the new approach to multi-state multi-reference perturbation theory.

Analytic gradients, geometry optimization and excited state potential energy surfaces from the particle-particle random phase approximation.

Progress and challenges in the calculation of electronic excited states.

Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Benchmarks of Electronically Excited States.

Ground- and Excited-State Geometry Optimization of Small Organic Molecules with Quantum Monte Carlo.

Assessment of Approximate Coupled-Cluster and Algebraic-Diagrammatic-Construction Methods for Ground- and Excited-State Reaction Paths and the Conical-Intersection Seam of a Retinal-Chromophore Model.

Absorption and Emission Spectra of Solvated Molecules with the EOM-CCSD-PCM Method.

Assessment of Density Functional Theory for Describing the Correlation Effects on the Ground and Excited State Potential Energy Surfaces of a Retinal Chromophore Model.

P304

6237-6252

http://www.w3.org/2001/XMLSchema#string

P31

scholarly article

P356

10.1021/ACS.JCTC.7B00921

http://www.w3.org/2001/XMLSchema#string

P433

http://www.w3.org/2001/XMLSchema#string

P478

http://www.w3.org/2001/XMLSchema#string

P50

Denis Jacquemin

Šimon Budzák

P577

2017-11-15T00:00:00Z

http://www.w3.org/2001/XMLSchema#dateTime

P698

29140697

http://www.w3.org/2001/XMLSchema#string

P932

5729545

http://www.w3.org/2001/XMLSchema#string