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...

Solvation of the Excited States of Chromophores in Polarizable Environment: Orbital Relaxation versus Polarization

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-08, Vol.114 (33), p.8824-8830

Slipchenko, Lyudmila V

2010

Volltextzugriff (PDF)

Effective Fragment Potentials for Flexible Molecules: Transferability of Parameters and Amino Acid Database

Journal of chemical theory and computation, 2020-12, Vol.16 (12), p.7735-7747

2020

Volltextzugriff (PDF)

Extension of the Effective Fragment Potential Method to Macromolecules

The journal of physical chemistry. B, 2016-07, Vol.120 (27), p.6562-6574

2016

Volltextzugriff (PDF)

Assessing cholesterol storage in live cells and C. elegans by stimulated Raman scattering imaging of phenyl-Diyne cholesterol

Scientific reports, 2015-01, Vol.5 (1), p.7930-7930, Article 7930

2015

Volltextzugriff (PDF)

Impact of Short-Range Forces on Defect Production from High-Energy Collisions

Journal of chemical theory and computation, 2016-06, Vol.12 (6), p.2871-2879

2016

Volltextzugriff (PDF)

Conformationally Locked Chromophores as Models of Excited-State Proton Transfer in Fluorescent Proteins

Journal of the American Chemical Society, 2012-04, Vol.134 (13), p.6025-6032

2012

Volltextzugriff (PDF)

Polarizable embedding for simulating redox potentials of biomolecules

Physical chemistry chemical physics : PCCP, 2019-06, Vol.21 (22), p.11642-1165

2019

Volltextzugriff (PDF)

Detangling Solvatochromic Effects by the Effective Fragment Potential Method

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-01, Vol.128 (3), p.656-669

Slipchenko, Lyudmila V.

2024

Volltextzugriff (PDF)

The acid-catalyzed hydrolysis of an α-pinene-derived organic nitrate: kinetics, products, reaction mechanisms, and atmospheric impact

Atmospheric chemistry and physics, 2016-12, Vol.16 (23), p.15425-15432

2016

Volltextzugriff (PDF)

Damping functions in the effective fragment potential method

Molecular physics, 2009-04, Vol.107 (8-12), p.999-1016

2009

Volltextzugriff (PDF)

Atmospheric Significance of Water Clusters and Ozone–Water Complexes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-10, Vol.117 (40), p.10381-10396

2013

Volltextzugriff (PDF)

Water−Benzene Interactions: An Effective Fragment Potential and Correlated Quantum Chemistry Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-03, Vol.113 (10), p.2092-2102

2009

Volltextzugriff (PDF)

Impact of Peripheral Hydrogen Bond on Electronic Properties of the Primary Acceptor Chlorophyll in the Reaction Center of Photosystem I

International journal of molecular sciences, 2024-05, Vol.25 (9), p.4815

2024

Volltextzugriff (PDF)

Singlet-triplet gaps in diradicals by the spin-flip approach: A benchmark study

The Journal of chemical physics, 2002-09, Vol.117 (10), p.4694-4708

2002

Volltextzugriff (PDF)

Introduction: Calculations on Large Systems

Chemical reviews, 2015-06, Vol.115 (12), p.5605-5606

2015

Volltextzugriff (PDF)

Double spin-flip approach within equation-of-motion coupled cluster and configuration interaction formalisms: Theory, implementation, and examples

The Journal of chemical physics, 2009-01, Vol.130 (4), p.044103-044103

2009

Volltextzugriff (PDF)

Crystallization Inhibition Properties of Cellulose Esters and Ethers for a Group of Chemically Diverse Drugs: Experimental and Computational Insight

Biomacromolecules, 2018-12, Vol.19 (12), p.4593-4606

2018

Volltextzugriff (PDF)

Electrostatic energy in the effective fragment potential method: Theory and application to benzene dimer

Journal of computational chemistry, 2007-01, Vol.28 (1), p.276-291

2007

Volltextzugriff (PDF)

Photochemical degradation of isoprene-derived 4,1-nitrooxy enal

Atmospheric chemistry and physics, 2016-05, Vol.16 (9), p.5595-5610

2016

Volltextzugriff (PDF)

Systematic Study of the Embedding Potential Description in the Fragment Molecular Orbital Method

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-08, Vol.114 (33), p.8742-8753

2010

Volltextzugriff (PDF)

Fragmentation Methods: A Route to Accurate Calculations on Large Systems

Chemical reviews, 2012-01, Vol.112 (1), p.632-672

2012

Volltextzugriff (PDF)

A new structural arrangement in proteins involving lysine NH3 + group and carbonyl

Scientific reports, 2017-11, Vol.7 (1), p.1-8, Article 16402

2017

Volltextzugriff (PDF)

Open-shell pair interaction energy decomposition analysis (PIEDA): formulation and application to the hydrogen abstraction in tripeptides

The Journal of chemical physics, 2013-02, Vol.138 (7), p.074111-074111

2013

Volltextzugriff (PDF)

The dispersion interaction between quantum mechanics and effective fragment potential molecules

The Journal of chemical physics, 2012-06, Vol.136 (24), p.244107-244107

2012

Volltextzugriff (PDF)

Effective Fragment Potential Study of the Interaction of DNA Bases

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-10, Vol.115 (41), p.11269-11276

2011

Volltextzugriff (PDF)

1 – 25 von 493

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(395)
Mit Volltextzugriff
(381)

Publikationsform

Sprache

Englisch
(468)
Russisch
(24)
Deutsch
(2)
Ukrainisch
(2)

Erscheinungsjahr

n.n

Thema

Science & Technology
(322)
Physical Sciences
(297)
Physics
(257)
Technology
(110)
Lasers
(104)
Physics, Applied
(103)
Semiconductor Lasers
(99)
Chemistry
(96)
Physics And Astronomy
(86)
Engineering
(76)
Engineering, Electrical & Electronic
(72)
Heterostructures
(71)
Physics, Condensed Matter
(70)
Waveguides
(66)
Chemistry, Physical
(65)
Physics, Atomic, Molecular & Chemical
(54)
Materials Science
(53)
Magnetic Materials
(49)
Magnetism
(49)
Quantum Cascade Lasers
(41)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 30 Tagen
(2)
... seit 90 Tagen
(5)

Menü

Weitere Dienste

Einstellungen

Solvation of the Excited States of Chromophores in Polarizable Environment: Orbital Relaxation versus Polarization

Effective Fragment Potentials for Flexible Molecules: Transferability of Parameters and Amino Acid Database

Extension of the Effective Fragment Potential Method to Macromolecules

Assessing cholesterol storage in live cells and C. elegans by stimulated Raman scattering imaging of phenyl-Diyne cholesterol

Impact of Short-Range Forces on Defect Production from High-Energy Collisions

Conformationally Locked Chromophores as Models of Excited-State Proton Transfer in Fluorescent Proteins

Polarizable embedding for simulating redox potentials of biomolecules

Detangling Solvatochromic Effects by the Effective Fragment Potential Method

The acid-catalyzed hydrolysis of an α-pinene-derived organic nitrate: kinetics, products, reaction mechanisms, and atmospheric impact

Damping functions in the effective fragment potential method

Atmospheric Significance of Water Clusters and Ozone–Water Complexes

Water−Benzene Interactions: An Effective Fragment Potential and Correlated Quantum Chemistry Study

Impact of Peripheral Hydrogen Bond on Electronic Properties of the Primary Acceptor Chlorophyll in the Reaction Center of Photosystem I

Singlet-triplet gaps in diradicals by the spin-flip approach: A benchmark study

Introduction: Calculations on Large Systems

Double spin-flip approach within equation-of-motion coupled cluster and configuration interaction formalisms: Theory, implementation, and examples

Crystallization Inhibition Properties of Cellulose Esters and Ethers for a Group of Chemically Diverse Drugs: Experimental and Computational Insight

Electrostatic energy in the effective fragment potential method: Theory and application to benzene dimer

Photochemical degradation of isoprene-derived 4,1-nitrooxy enal

Systematic Study of the Embedding Potential Description in the Fragment Molecular Orbital Method

Fragmentation Methods: A Route to Accurate Calculations on Large Systems

A new structural arrangement in proteins involving lysine NH3 + group and carbonyl

Open-shell pair interaction energy decomposition analysis (PIEDA): formulation and application to the hydrogen abstraction in tripeptides

The dispersion interaction between quantum mechanics and effective fragment potential molecules

Effective Fragment Potential Study of the Interaction of DNA Bases

Suchergebnisse filtern