karplus equation Recently Published Documents

Back Cover: A Karplus Equation for the Conformational Analysis of Organic Molecular Crystals (Angew. Chem. Int. Ed. 45/2019)

Angewandte Chemie International Edition ◽

10.1002/anie.201911629 ◽

2019 ◽

Vol 58 (45) ◽

pp. 16330-16330

Author(s):

Pierre Thureau ◽

Isaure Carvin ◽

Fabio Ziarelli ◽

Stéphane Viel ◽

Giulia Mollica

Keyword(s):

Conformational Analysis ◽

Molecular Crystals ◽

Karplus Equation ◽

Back Cover ◽

A Karplus Equation for the Conformational Analysis of Organic Molecular Crystals

Angewandte Chemie International Edition ◽

10.1002/anie.201906359 ◽

2019 ◽

Vol 58 (45) ◽

pp. 16047-16051 ◽

Cited By ~ 1

Author(s):

Pierre Thureau ◽

Isaure Carvin ◽

Fabio Ziarelli ◽

Stéphane Viel ◽

Giulia Mollica

Keyword(s):

Conformational Analysis ◽

Molecular Crystals ◽

Karplus Equation ◽

A Karplus Equation for the Conformational Analysis of Organic Molecular Crystals

Angewandte Chemie ◽

10.1002/ange.201906359 ◽

2019 ◽

Vol 131 (45) ◽

pp. 16193-16197

Author(s):

Pierre Thureau ◽

Isaure Carvin ◽

Fabio Ziarelli ◽

Stéphane Viel ◽

Giulia Mollica

Keyword(s):

Conformational Analysis ◽

Molecular Crystals ◽

Karplus Equation ◽

Computational Protocol to Evaluate Side-Chain Vicinal Spin–Spin Coupling Constants and Karplus Equation in Amino Acids: Alanine Dipeptide Model

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.9b00131 ◽

2019 ◽

Vol 15 (7) ◽

pp. 4252-4263

Author(s):

J. San Fabián ◽

S. Omar ◽

J. M. García de la Vega

Keyword(s):

Amino Acids ◽

Coupling Constants ◽

Spin Coupling ◽

Side Chain ◽

Karplus Equation ◽

Spin Coupling Constants ◽

Spin Spin Coupling ◽

Alanine Dipeptide ◽

Computational Protocol

Development of a Karplus equation for 3JCOCH in ester-functionalized glucopyranoses and methylglucuronate.

ARKIVOC ◽

10.24820/ark.5550190.p010.113 ◽

2017 ◽

Vol 2017 (5) ◽

pp. 268-292 ◽

Cited By ~ 4

Author(s):

Sven Hackbusch ◽

Amelia Watson ◽

Andreas H. Franz

Keyword(s):

Prediction of Anti and gauche vicinal proton-proton coupling constants for hexapyranose rings using a generalized karplus equation

Bulletin des Sociétés Chimiques Belges ◽

10.1002/bscb.19800890208 ◽

2010 ◽

Vol 89 (2) ◽

pp. 125-131 ◽

Cited By ~ 40

Author(s):

C. A. G. Haasnoot ◽

F. A. A. M. De Leeuw ◽

C. Altona

Keyword(s):

Coupling Constants ◽

Proton Proton ◽

Karplus Equation ◽

Proton Coupling ◽

Vicinal Proton

ChemInform Abstract: Developments in the Karplus Equation as They Relate to the NMR Coupling Constants of Carbohydrates

ChemInform ◽

10.1002/chin.201008279 ◽

2010 ◽

Vol 41 (8) ◽

Author(s):

Bruce Coxon

Keyword(s):

Coupling Constants ◽

Advances in Carbohydrate Chemistry and Biochemistry - Advances in Carbohydrate Chemistry and Biochemistry Volume 62 ◽

Chapter 3 Developments in the Karplus Equation as they Relate to the NMR Coupling Constants of Carbohydrates

10.1016/s0065-2318(09)00003-1 ◽

2009 ◽

pp. 17-82 ◽

Cited By ~ 38

Author(s):

Bruce Coxon

Keyword(s):

Coupling Constants ◽

Karplus Equation for 3JHH Spin−Spin Couplings with Unusual 3J(180°) < 3J(0°) Relationship

Journal of Chemical Theory and Computation ◽

10.1021/ct800145h ◽

2008 ◽

Vol 4 (9) ◽

pp. 1494-1500 ◽

Cited By ~ 10

Author(s):

R. H. Contreras ◽

R. Suardíaz ◽

C. Pérez ◽

R. Crespo-Otero ◽

J. San Fabián ◽

...

Keyword(s):