UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 36

Sortiert nach

Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review

Molecules (Basel, Switzerland), 2019-04, Vol.24 (9), p.1653

2019

Volltextzugriff (PDF)

Variational Density Fitting with a Krylov Subspace Method

Journal of chemical theory and computation, 2020-05, Vol.16 (5), p.2965-2974

2020

Volltextzugriff (PDF)

QM/MM calculations with deMon2k

Molecules, 2015-03, Vol.20 (3), p.4780-4812

2015

Volltextzugriff (PDF)

The physical stage of radiolysis of solvated DNA by high-energy-transfer particles: insights from new first principles simulations

Physical chemistry chemical physics : PCCP, 2020-04, Vol.22 (15), p.7747-7758

2020

Volltextzugriff (PDF)

Quantum Chemical Topology of the Electron Localization Function in the Field of Attosecond Electron Dynamics

The journal of physical chemistry letters, 2018-02, Vol.9 (4), p.844-850

2018

Volltextzugriff (PDF)

Retardation in electron dynamics simulations based on time-dependent density functional theory

The European physical journal. D, Atomic, molecular, and optical physics, 2018, Vol.72 (12), p.1-11, Article 206

2018

Volltextzugriff (PDF)

Current status of deMon2k for the investigation of the early stages of matter irradiation by time-dependent DFT approaches

The European physical journal. ST, Special topics, 2023-09, Vol.232 (13), p.2167-2193

2023

Volltextzugriff (PDF)

Asymptotic Expansion for Electrostatic Embedding Integrals in QM/MM Calculations

Journal of chemical theory and computation, 2012-11, Vol.8 (11), p.4232-4238

2012

Volltextzugriff (PDF)

Auxiliary Density Functional Theory: From Molecules to Nanostructures

Handbook of Computational Chemistry, p.795-860

Volltextzugriff (PDF)

Diastereoselective Synthesis and Estimation of the Conformational Flexibility of 6-Oxoperhydropyridazine-3-carboxylic Acid Derivatives

Journal of organic chemistry, 2002-05, Vol.67 (9), p.2789-2797

2002

Volltextzugriff (PDF)

Synthesis of γ,δ-Didehydrohomoglutamates by the Phosphine-Catalyzed γ-Addition Reaction to Acetylenic Esters

Journal of organic chemistry, 2000-06, Vol.65 (11), p.3544-3547

2000

Volltextzugriff (PDF)

Carboxylates as pronucleophiles in the phosphine-catalyzed γ-addition reaction

Tetrahedron letters, 1999-11, Vol.40 (48), p.8465-8467

1999

Volltextzugriff (PDF)

Diastereoselective Synthesis of α-Methylpyroglutamates from α,β-Didehydro α-Amino Acids

European journal of organic chemistry, 2002-12, Vol.2002 (24), p.4190-4194

2002

Volltextzugriff (PDF)

Conformationally restricted glutamic acid derivatives: asymmetric synthesis of 4-substituted 4,5-dihydro-3(2 H)-pyridazinones

Tetrahedron letters, 2001-03, Vol.42 (11), p.2129-2131

2001

Volltextzugriff (PDF)

Diastereoselective Synthesis of Substituted Glutamic Acid Derivatives via Michael Additions of N-[Bis(methylthio)methylene]glycinates under Solid-Liquid Phase Transfer Catalysis

Journal of organic chemistry, 1995-10, Vol.60 (21), p.6700-6705

1995

Volltextzugriff (PDF)

Diastereoselective Aldol Reactions of (Z)-N-[Bis(methylthio)methylene]-α,β-didehydroglutamates

Journal of organic chemistry, 1998-11, Vol.63 (24), p.8736-8740

1998

Volltextzugriff (PDF)

Diastereoselective synthesis of syn,syn- and syn,anti-2,4-diamino-3-hydroxyglutaric acid derivatives from ethyl α-acyl alaninates

Tetrahedron, 1999-03, Vol.55 (10), p.3041-3060

1999

Volltextzugriff (PDF)

Diastereoselective synthesis of functionalized 2,4-diamino-3-hydroxyglutaric acid derivatives of potential biological interest from glycine derivatives

Tetrahedron letters, 1993, Vol.34 (34), p.5463-5466

1993

Volltextzugriff (PDF)

Diastereoselective Synthesis of α-Methylpyroglutamates from α,β-Didehydro α-Amino Acids

ChemInform, 2003-04, Vol.34 (15), p.no-no

2003

Volltextzugriff (PDF)

Diastereoselective Synthesis and Estimation of the Conformational Flexibility of 6-Oxoperhydropyridazine-3-carboxylic Acid Derivatives

ChemInform, 2002-12, Vol.33 (52), p.30-30

2002

Volltextzugriff (PDF)

Asymmetric Oxidative Dimerization of the Enolates of N-[Bis(methylthio)methylene]- and N-(Diphenylmethylene)glycine Esters

Journal of organic chemistry, 1997-04, Vol.62 (8), p.2478-2482

1997

Volltextzugriff (PDF)

Diastereoselective Synthesis of α,α-Disubstituted γ-Carboxypyroglutamates via Sm(III)−Azomethine Ylide Cycloadditions

Journal of organic chemistry, 1997-02, Vol.62 (3), p.479-484

1997

Volltextzugriff (PDF)

ChemInform Abstract: Conformationally Restricted Glutamic Acid Derivatives: Asymmetric Synthesis of 4-Substituted 4,5-Dihydro-3(2H)-pyridazinones

ChemInform, 2001-06, Vol.32 (25), p.no-no

2001

Volltextzugriff (PDF)

ChemInform Abstract: Synthesis of γ,δ-Didehydrohomoglutamates by the Phosphine-Catalyzed γ-Addition Reaction to Acetylenic Esters

ChemInform, 2000-09, Vol.31 (37), p.no-no

2000

Volltextzugriff (PDF)

ChemInform Abstract: Carboxylates as Pronucleophiles in the Phosphine-Catalyzed γ-Addition Reaction

ChemInform, 2000-02, Vol.31 (5), p.no-no

2000

Volltextzugriff (PDF)

1 – 25 von 36

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(27)
Mit Volltextzugriff
(36)

Publikationsform

Artikel
(35)
Buchkapitel
(1)

Sprache

Englisch
(36)
Japanisch
(2)

Erscheinungsjahr

n.n

Thema

Physical Sciences
(25)
Science & Technology
(25)
Chemistry
(23)
Chemistry, Organic
(17)
Amino Acids
(6)
Physics
(6)
Amino Acids, Peptides
(5)
Density Functional Theory
(5)
Organic Chemistry
(5)
Peptides
(5)
Physics, Atomic, Molecular & Chemical
(5)
Chemical Sciences
(4)
Chemistry, Physical
(4)
Diastereoselective Syntheses
(3)
Diastereoselective Syntheses, Enantioselective Syntheses
(3)
Enantioselective Syntheses
(3)
Review
(3)
Addition Reactions
(2)
Alkylation
(2)
Atomic
(2)

15 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review

Variational Density Fitting with a Krylov Subspace Method

QM/MM calculations with deMon2k

The physical stage of radiolysis of solvated DNA by high-energy-transfer particles: insights from new first principles simulations

Quantum Chemical Topology of the Electron Localization Function in the Field of Attosecond Electron Dynamics

Retardation in electron dynamics simulations based on time-dependent density functional theory

Current status of deMon2k for the investigation of the early stages of matter irradiation by time-dependent DFT approaches

Asymptotic Expansion for Electrostatic Embedding Integrals in QM/MM Calculations

Auxiliary Density Functional Theory: From Molecules to Nanostructures

Diastereoselective Synthesis and Estimation of the Conformational Flexibility of 6-Oxoperhydropyridazine-3-carboxylic Acid Derivatives

Synthesis of γ,δ-Didehydrohomoglutamates by the Phosphine-Catalyzed γ-Addition Reaction to Acetylenic Esters

Carboxylates as pronucleophiles in the phosphine-catalyzed γ-addition reaction

Diastereoselective Synthesis of α-Methylpyroglutamates from α,β-Didehydro α-Amino Acids

Conformationally restricted glutamic acid derivatives: asymmetric synthesis of 4-substituted 4,5-dihydro-3(2 H)-pyridazinones

Diastereoselective Synthesis of Substituted Glutamic Acid Derivatives via Michael Additions of N-[Bis(methylthio)methylene]glycinates under Solid-Liquid Phase Transfer Catalysis

Diastereoselective Aldol Reactions of (Z)-N-[Bis(methylthio)methylene]-α,β-didehydroglutamates

Diastereoselective synthesis of syn,syn- and syn,anti-2,4-diamino-3-hydroxyglutaric acid derivatives from ethyl α-acyl alaninates

Diastereoselective synthesis of functionalized 2,4-diamino-3-hydroxyglutaric acid derivatives of potential biological interest from glycine derivatives

Diastereoselective Synthesis of α-Methylpyroglutamates from α,β-Didehydro α-Amino Acids

Diastereoselective Synthesis and Estimation of the Conformational Flexibility of 6-Oxoperhydropyridazine-3-carboxylic Acid Derivatives

Asymmetric Oxidative Dimerization of the Enolates of N-[Bis(methylthio)methylene]- and N-(Diphenylmethylene)glycine Esters

Diastereoselective Synthesis of α,α-Disubstituted γ-Carboxypyroglutamates via Sm(III)−Azomethine Ylide Cycloadditions

ChemInform Abstract: Conformationally Restricted Glutamic Acid Derivatives: Asymmetric Synthesis of 4-Substituted 4,5-Dihydro-3(2H)-pyridazinones

ChemInform Abstract: Synthesis of γ,δ-Didehydrohomoglutamates by the Phosphine-Catalyzed γ-Addition Reaction to Acetylenic Esters

ChemInform Abstract: Carboxylates as Pronucleophiles in the Phosphine-Catalyzed γ-Addition Reaction

Suchergebnisse filtern