UB Paderborn / Katalog / Suche / in CDI

Sortiert nach

Einfacher Volltextzugriff von (fast) überall

Installieren Sie die LibKey Nomad-Browsererweiterung und erhalten Sie von vielen Webseiten einfachen Zugriff auf lizenzierte Volltexte oder Open Access Publikationen. Mehr erfahren...

Electron Localization-Delocalization Matrices

2024

Volltextzugriff (PDF)

The Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug Design

1, 2007

Volltextzugriff (PDF)

Quantum Crystallography

1, 2023

Volltextzugriff (PDF)

Modeling biophysical and biological properties from the characteristics of the molecular electron density, electron localization and delocalization matrices, and the electrostatic potential

Journal of computational chemistry, 2014-06, Vol.35 (16), p.1165-1198

Matta, Chérif F.

2014

Volltextzugriff (PDF)

Effects of Intense Electric Fields on the Double Proton Transfer in the Watson–Crick Guanine–Cytosine Base Pair

The journal of physical chemistry. B, 2018-09, Vol.122 (37), p.8631-8641

2018

Volltextzugriff (PDF)

The chemical bond in external electric fields: energies, geometries, and vibrational Stark shifts of diatomic molecules

The Journal of chemical physics, 2013-10, Vol.139 (14), p.144101-144101

2013

Volltextzugriff (PDF)

Manipulation of Diatomic Molecules with Oriented External Electric Fields: Linear Correlations in Atomic Properties Lead to Nonlinear Molecular Responses

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-06, Vol.124 (23), p.4720-4731

2020

Volltextzugriff (PDF)

How dependent are molecular and atomic properties on the electronic structure method? Comparison of Hartree-Fock, DFT, and MP2 on a biologically relevant set of molecules

Journal of computational chemistry, 2010-04, Vol.31 (6), p.1297-1311

Matta, Chérif F

2010

Volltextzugriff (PDF)

Quantum crystallography: A perspective

Journal of computational chemistry, 2018-06, Vol.39 (17), p.1021-1028

2018

Volltextzugriff (PDF)

Quantum Biochemistry

Matta, Chérif F

1. Aufl., 2010

Volltextzugriff (PDF)

Quantum Crystallography: Current Developments and Future Perspectives

Chemistry : a European journal, 2018-08, Vol.24 (43), p.10881-10905

2018

Volltextzugriff (PDF)

Effects of external electric fields on double proton transfer kinetics in the formic acid dimer

Physical chemistry chemical physics : PCCP, 2011-08, Vol.13 (30), p.13738-13748

2011

Volltextzugriff (PDF)

Tuning Novel NaLaS2(1–x)(Se or Te)2x Alloys as Light-Absorbing Materials by Dopant-Induced Crystallographic Phase and Electronic Structure Transitions

Journal of physical chemistry. C, 2023-09, Vol.127 (35), p.17532-17544

2023

Volltextzugriff (PDF)

Notes on The Energy Equivalence of Information

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-11, Vol.121 (47), p.9131-9135

2017

Volltextzugriff (PDF)

Molecular Model with Quantum Mechanical Bonding Information

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-11, Vol.115 (45), p.12991-12997

2011

Volltextzugriff (PDF)

The Localization–Delocalization Matrix and the Electron-Density-Weighted Connectivity Matrix of a Finite Graphene Nanoribbon Reconstructed from Kernel Fragments

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-11, Vol.118 (47), p.11304-11316

2014

Volltextzugriff (PDF)

Establishing new diffuse interstellar band correlations to identify common carriers

Monthly notices of the Royal Astronomical Society, 2021-11, Vol.507 (4), p.5236-5245

2021

Volltextzugriff (PDF)

Are size and mitochondrial power of cells inter-determined?

Journal of theoretical biology, 2023-09, Vol.572, p.111565-111565, Article 111565

2023

Volltextzugriff (PDF)

Nonnuclear Attractors in Heteronuclear Diatomic Systems

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-03, Vol.120 (8), p.1168-1174

2016

Volltextzugriff (PDF)

Quantum crystallography: From the intersection to the union of crystallography and quantum mechanics

Journal of computational chemistry, 2018-06, Vol.39 (17), p.1019-1020

Matta, Chérif F.

2018

Volltextzugriff (PDF)

Spontaneous Reduction of a Hydroborane To Generate a B−B Single Bond by the Use of a Lewis Pair

Angewandte Chemie International Edition, 2016-10, Vol.55 (41), p.12722-12726

International ed. in English, 2016

Volltextzugriff (PDF)

RbCeX2 Crystal (X = S, Se, Te): Pressure-Induced Spin-Selective Gapless Transition and Response Properties

Journal of alloys and compounds, 2022-03, Vol.898, p.162760, Article 162760

2022

Volltextzugriff (PDF)

Two projector triple products in quantum crystallography

International journal of quantum chemistry, 2022-02, Vol.122 (4), p.n/a

2022

Volltextzugriff (PDF)

Prebiotic N-(2-Aminoethyl)-Glycine (AEG)-Assisted Synthesis of Proto-RNA?

Journal of molecular evolution, 2024-08, Vol.92 (4), p.449-466

2024

Volltextzugriff (PDF)

On the Unusual Synclinal Conformations of Hexafluorobutadiene and Structurally Similar Molecules

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-05, Vol.122 (18), p.4538-4548

2018

Volltextzugriff (PDF)

1 – 25 von 1.460

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(1.129)
Mit Volltextzugriff
(1.161)

Publikationsform

5 weitere anzeigen...

Weniger anzeigen...

Sprache

1 weiteren anzeigen...

Weniger anzeigen...

Erscheinungsjahr

n.n

Thema

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 30 Tagen
(3)
... seit 90 Tagen
(10)

Menü

Weitere Dienste

Einstellungen

Electron Localization-Delocalization Matrices

The Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug Design

Quantum Crystallography

Modeling biophysical and biological properties from the characteristics of the molecular electron density, electron localization and delocalization matrices, and the electrostatic potential

Effects of Intense Electric Fields on the Double Proton Transfer in the Watson–Crick Guanine–Cytosine Base Pair

The chemical bond in external electric fields: energies, geometries, and vibrational Stark shifts of diatomic molecules

Manipulation of Diatomic Molecules with Oriented External Electric Fields: Linear Correlations in Atomic Properties Lead to Nonlinear Molecular Responses

How dependent are molecular and atomic properties on the electronic structure method? Comparison of Hartree-Fock, DFT, and MP2 on a biologically relevant set of molecules

Quantum crystallography: A perspective

Quantum Biochemistry

Quantum Crystallography: Current Developments and Future Perspectives

Effects of external electric fields on double proton transfer kinetics in the formic acid dimer

Tuning Novel NaLaS2(1–x)(Se or Te)2x Alloys as Light-Absorbing Materials by Dopant-Induced Crystallographic Phase and Electronic Structure Transitions

Notes on The Energy Equivalence of Information

Molecular Model with Quantum Mechanical Bonding Information

The Localization–Delocalization Matrix and the Electron-Density-Weighted Connectivity Matrix of a Finite Graphene Nanoribbon Reconstructed from Kernel Fragments

Establishing new diffuse interstellar band correlations to identify common carriers

Are size and mitochondrial power of cells inter-determined?

Nonnuclear Attractors in Heteronuclear Diatomic Systems

Quantum crystallography: From the intersection to the union of crystallography and quantum mechanics

Spontaneous Reduction of a Hydroborane To Generate a B−B Single Bond by the Use of a Lewis Pair

RbCeX2 Crystal (X = S, Se, Te): Pressure-Induced Spin-Selective Gapless Transition and Response Properties

Two projector triple products in quantum crystallography

Prebiotic N-(2-Aminoethyl)-Glycine (AEG)-Assisted Synthesis of Proto-RNA?

On the Unusual Synclinal Conformations of Hexafluorobutadiene and Structurally Similar Molecules

Suchergebnisse filtern