4.6 Article

Ab Initio Dot Structures Beyond the Lewis Picture

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Multidisciplinary Sciences

Imaging the square of the correlated two-electron wave function of a hydrogen molecule

M. Waitz et al.

NATURE COMMUNICATIONS (2017)

Article Multidisciplinary Sciences

The correlation theory of the chemical bond

Szilard Szalay et al.

SCIENTIFIC REPORTS (2017)

Article Computer Science, Information Systems

DBSCAN Revisited, Revisited: Why and How You Should (Still) Use DBSCAN

Erich Schubert et al.

ACM TRANSACTIONS ON DATABASE SYSTEMS (2017)

Article Chemistry, Physical

Chemical bonding motifs from a tiling of the many-electron wavefunction

Yu Liu et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)

Article Chemistry, Physical

Generic expansion of the Jastrow correlation factor in polynomials satisfying symmetry and cusp conditions

Arne Luechow et al.

JOURNAL OF CHEMICAL PHYSICS (2015)

Article Optics

Multipartite entanglement measures

Szilard Szalay

PHYSICAL REVIEW A (2015)

Article Chemistry, Multidisciplinary

Maxima of |Ψj|2: A Connection between Quantum Mechanics and Lewis Structures

Arne Luechow

JOURNAL OF COMPUTATIONAL CHEMISTRY (2014)

Article Chemistry, Physical

Intrinsic Atomic Orbitals: An Unbiased Bridge between Quantum Theory and Chemical Concepts

Gerald Knizia

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)

Article Chemistry, Multidisciplinary

Quadruple bonding in C2 and analogous eight-valence electron species

Sason Shaik et al.

NATURE CHEMISTRY (2012)

Article Chemistry, Multidisciplinary

Single Electron Densities: A New Tool to Analyze Molecular Wavefunctions

Arne Luechow et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)

Review Chemistry, Multidisciplinary

Quantum Monte Carlo methods

Arne Luechow

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)

Article Chemistry, Multidisciplinary

Charge-shift bonding and its manifestations in chemistry

Sason Shaik et al.

NATURE CHEMISTRY (2009)

Review Chemistry, Organic

Emerging prospects for unusual aromaticity in organic electronic materials: The case for methanol[10]annulene

Patricia A. Peart et al.

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY (2008)

Article Chemistry, Physical

Optimization of quantum Monte Carlo wave functions by energy minimization

Julien Toulouse et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Multidisciplinary

Maximum probability domains from quantum Monte Carlo calculations

Anthony Scemama et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)

Article Chemistry, Physical

An electron number distribution view of chemical bonds in real space

A. Martin Pendas et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)

Article Chemistry, Multidisciplinary

Foliacenes: Ab initio modeling of metallocomplexes exhibiting a unique form of 16-electron, metal-induced aromaticity

JR Hutchison et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)

Article Chemistry, Multidisciplinary

Optimized slater-type basis sets for the elements 1-118

E Van Lenthe et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)

Article Chemistry, Multidisciplinary

Electron probability distribution in AIM and ELF basins

E Chamorro et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)

Article Chemistry, Physical

On the optimization of Gaussian basis sets

GA Petersson et al.

JOURNAL OF CHEMICAL PHYSICS (2003)