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...

Assessment of Fragmentation Strategies for Large Proteins Using the Multilayer Molecules-in-Molecules Approach

Journal of chemical theory and computation, 2018-03, Vol.14 (3), p.1383-1394

2018

Volltextzugriff (PDF)

Raman Optical Activity Spectra for Large Molecules through Molecules-in-Molecules Fragment-Based Approach

Journal of chemical theory and computation, 2016-02, Vol.12 (2), p.585-594

2016

Volltextzugriff (PDF)

Dimension Engineering of Stimuli‐Responsive 1D Molecular Crystals into Unusual 2D and 3D Zigzag Waveguides

Angewandte Chemie International Edition, 2023-06, Vol.62 (25), p.e202302929-n/a

International ed. in English, 2023

Volltextzugriff (PDF)

1,2-Phenylene-Incorporated Smallest Expanded Calix[4]pyrrole via One-Step Synthesis of Tetrapyrrane: A Fluorescent Host for Fluoride Ion

Journal of organic chemistry, 2021-08, Vol.86 (15), p.10536-10543

2021

Volltextzugriff (PDF)

Molecules-in-molecules fragment-based method for the evaluation of Raman spectra of large molecules

Molecular physics, 2015-10, Vol.113 (19-20), p.3057-3066

2015

Volltextzugriff (PDF)

Construction of high-dimensional neural network potentials using environment-dependent atom pairs

The Journal of chemical physics, 2012-05, Vol.136 (19), p.194111-194111-15

2012

Volltextzugriff (PDF)

Fragment-Based Approach for the Evaluation of NMR Chemical Shifts for Large Biomolecules Incorporating the Effects of the Solvent Environment

Journal of chemical theory and computation, 2017-03, Vol.13 (3), p.1147-1158

2017

Volltextzugriff (PDF)

Electrostatic Potential-Based Method of Balancing Charge Transfer Across ONIOM QM:QM Boundaries

Journal of chemical theory and computation, 2014-10, Vol.10 (10), p.4351-4359

2014

Volltextzugriff (PDF)

Evaluation of Energy Gradients and Infrared Vibrational Spectra through Molecules-in-Molecules Fragment-Based Approach

Journal of chemical theory and computation, 2015-03, Vol.11 (3), p.950-961

2015

Volltextzugriff (PDF)

Vibrational Circular Dichroism Spectra for Large Molecules through Molecules-in-Molecules Fragment-Based Approach

Journal of chemical theory and computation, 2015-09, Vol.11 (9), p.4238-4247

2015

Volltextzugriff (PDF)

Cooperative Formation of Icosahedral Proline Clusters from Dimers

Journal of the American Society for Mass Spectrometry, 2018-01, Vol.29 (1), p.95-102

2018

Volltextzugriff (PDF)

Iodo-Cycloisomerization of Aryl(indol-3-yl)methane-Tethered Propargyl Alcohols to 3‑Iodocarbazoles via Selective 1,2-Alkyl Migration

ACS omega, 2018-11, Vol.3 (11), p.15024-15034

2018

Volltextzugriff (PDF)

Electrostatic guidelines and molecular tailoring for density functional investigation of structures and energetics of ( Li ) n clusters

The Journal of chemical physics, 2008-10, Vol.129 (16), p.164314-164314-10

2008

Volltextzugriff (PDF)

Significant progress in predicting the crystal structures of small organic molecules - a report on the fourth blind test

Acta crystallographica. Section B, Structural science, 2009-04, Vol.65 (2), p.107-125

2009

Volltextzugriff (PDF)

Effect of matrix on IR frequencies of acetylene and acetylene-methanol complex: Infrared matrix isolation and ab initio study

The Journal of chemical physics, 2007-09, Vol.127 (10), p.104501-104501-10

2007

Volltextzugriff (PDF)

An ab initio investigation on (CO2)n and CO2(Ar)m clusters: geometries and IR spectra

The Journal of chemical physics, 2008-03, Vol.128 (12), p.124310-124310

2008

Volltextzugriff (PDF)

Molecular tailoring approach for exploring structures, energetics and properties of clusters

Journal of chemical sciences (Bangalore, India), 2010, Vol.122 (1), p.47-56

2010

Volltextzugriff (PDF)

Dimension Engineering of Stimuli‐Responsive 1D Molecular Crystals into Unusual 2D and 3D Zigzag Waveguides

Angewandte Chemie, 2023-06, Vol.135 (25), p.n/a

2023

Volltextzugriff (PDF)

Cascading Effect of Large Molecular Motion in Crystals: A Topotactic Polymorphic Transition Paves the Way to Topochemical Polymerization

Journal of the American Chemical Society, 2023-05, Vol.145 (17), p.9607-9616

2023

Volltextzugriff (PDF)

Fragment-Based Approaches for Supramolecular Interaction Energies: Applications to Foldamers and Their Complexes with Anions

Journal of chemical theory and computation, 2018-12, Vol.14 (12), p.6226-6239

2018

Volltextzugriff (PDF)

Meso-Free Boron(III)subchlorin and Its μ‑Oxo Dimer with Interacting Chromophores

Organic letters, 2020-12, Vol.22 (24), p.9735-9739

2020

Volltextzugriff (PDF)

A2B- and A3‑Type Boron(III)Subchlorins Derived from meso-Diethoxycarbonyltripyrrane: Synthesis and Photophysical Exploration

Journal of organic chemistry, 2021-08, Vol.86 (15), p.10280-10287

2021

Volltextzugriff (PDF)

Synthetic access to calix[3]pyrroles via meso-expansion: hosts with diverse guest chemistry

Chemical communications (Cambridge, England), 2020-05, Vol.56 (42), p.5637-5640

2020

Volltextzugriff (PDF)

Brønsted Acid Promoted Thermal‐Ring‐Rearrangement of Fluorenopyrans to 2‐(1H‐Inden‐3‐yl)‐9H‐fluoren‐3‐ols Bearing Two All‐Carbon‐Quaternary Centres

European journal of organic chemistry, 2020-04, Vol.2020 (15), p.2199-2209

2020

Volltextzugriff (PDF)

Molecules-in-molecules fragment-based method for the calculation of chiroptical spectra of large molecules: Vibrational circular dichroism and Raman optical activity spectra of alanine polypeptides

Chirality (New York, N.Y.), 2016-12, Vol.28 (12), p.755-768

2016

Volltextzugriff (PDF)

1 – 25 von 145

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(125)
Mit Volltextzugriff
(130)

Publikationsform

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(67)
Physical Sciences
(48)
Chemistry
(26)
Physics
(24)
Life Sciences & Biomedicine
(18)
Physics, Nuclear
(13)
Chemistry, Physical
(12)
Experiment
(12)
Humans
(10)
Physics, Atomic, Molecular & Chemical
(10)
Polymer Science
(10)
Technology
(9)
Particle Physics
(8)
Alice
(7)
Chemistry, Multidisciplinary
(7)
Female
(7)
Materials Science
(7)
Nuclear Physics
(7)
Applied Sciences
(6)
Engineering, Chemical
(6)

15 weitere anzeigen...

Weniger anzeigen...

Zeitschrift / Serie

5 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 30 Tagen
(1)
... seit 90 Tagen
(2)

Menü

Weitere Dienste

Einstellungen

Assessment of Fragmentation Strategies for Large Proteins Using the Multilayer Molecules-in-Molecules Approach

Raman Optical Activity Spectra for Large Molecules through Molecules-in-Molecules Fragment-Based Approach

Dimension Engineering of Stimuli‐Responsive 1D Molecular Crystals into Unusual 2D and 3D Zigzag Waveguides

1,2-Phenylene-Incorporated Smallest Expanded Calix[4]pyrrole via One-Step Synthesis of Tetrapyrrane: A Fluorescent Host for Fluoride Ion

Molecules-in-molecules fragment-based method for the evaluation of Raman spectra of large molecules

Construction of high-dimensional neural network potentials using environment-dependent atom pairs

Fragment-Based Approach for the Evaluation of NMR Chemical Shifts for Large Biomolecules Incorporating the Effects of the Solvent Environment

Electrostatic Potential-Based Method of Balancing Charge Transfer Across ONIOM QM:QM Boundaries

Evaluation of Energy Gradients and Infrared Vibrational Spectra through Molecules-in-Molecules Fragment-Based Approach

Vibrational Circular Dichroism Spectra for Large Molecules through Molecules-in-Molecules Fragment-Based Approach

Cooperative Formation of Icosahedral Proline Clusters from Dimers

Iodo-Cycloisomerization of Aryl(indol-3-yl)methane-Tethered Propargyl Alcohols to 3‑Iodocarbazoles via Selective 1,2-Alkyl Migration

Electrostatic guidelines and molecular tailoring for density functional investigation of structures and energetics of ( Li ) n clusters

Significant progress in predicting the crystal structures of small organic molecules - a report on the fourth blind test

Effect of matrix on IR frequencies of acetylene and acetylene-methanol complex: Infrared matrix isolation and ab initio study

An ab initio investigation on (CO2)n and CO2(Ar)m clusters: geometries and IR spectra

Molecular tailoring approach for exploring structures, energetics and properties of clusters

Dimension Engineering of Stimuli‐Responsive 1D Molecular Crystals into Unusual 2D and 3D Zigzag Waveguides

Cascading Effect of Large Molecular Motion in Crystals: A Topotactic Polymorphic Transition Paves the Way to Topochemical Polymerization

Fragment-Based Approaches for Supramolecular Interaction Energies: Applications to Foldamers and Their Complexes with Anions

Meso-Free Boron(III)subchlorin and Its μ‑Oxo Dimer with Interacting Chromophores

A2B- and A3‑Type Boron(III)Subchlorins Derived from meso-Diethoxycarbonyltripyrrane: Synthesis and Photophysical Exploration

Synthetic access to calix[3]pyrroles via meso-expansion: hosts with diverse guest chemistry

Brønsted Acid Promoted Thermal‐Ring‐Rearrangement of Fluorenopyrans to 2‐(1H‐Inden‐3‐yl)‐9H‐fluoren‐3‐ols Bearing Two All‐Carbon‐Quaternary Centres

Molecules-in-molecules fragment-based method for the calculation of chiroptical spectra of large molecules: Vibrational circular dichroism and Raman optical activity spectra of alanine polypeptides

Suchergebnisse filtern