Understanding Substituent Effects on29Si Chemical Shifts and Bonding in Disilynes. A Quantum-Chemical Analysis

Dominik Auer; Martin Kaupp; Carsten Strohmann

doi:10.1021/om050499b

Understanding Substituent Effects on29Si Chemical Shifts and Bonding in Disilynes. A Quantum-Chemical Analysis

Organometallics ◽

10.1021/om050499b ◽

2005 ◽

Vol 24 (26) ◽

pp. 6331-6337 ◽

Cited By ~ 17

Author(s):

Dominik Auer ◽

Martin Kaupp ◽

Carsten Strohmann

Keyword(s):

Chemical Analysis ◽

Quantum Chemical ◽

Chemical Shifts ◽

Substituent Effects ◽

Quantum Chemical Analysis

Download Full-text

Understanding Substituent Effects on29Si Chemical Shifts and Bonding in Disilenes. A Quantum Chemical Analysis†

Organometallics ◽

10.1021/om030101g ◽

2003 ◽

Vol 22 (12) ◽

pp. 2442-2449 ◽

Cited By ~ 46

Author(s):

Dominik Auer ◽

Carsten Strohmann ◽

Alexei V. Arbuznikov ◽

Martin Kaupp

Keyword(s):

Chemical Analysis ◽

Quantum Chemical ◽

Chemical Shifts ◽

Substituent Effects ◽

Quantum Chemical Analysis

Download Full-text

“Unexpected”29Si NMR Chemical Shifts in Heteroatom-Substituted Silyllithium Compounds: A Quantum-Chemical Analysis

Organometallics ◽

10.1021/om049812k ◽

2004 ◽

Vol 23 (15) ◽

pp. 3647-3655 ◽

Cited By ~ 30

Author(s):

Dominik Auer ◽

Martin Kaupp ◽

Carsten Strohmann

Keyword(s):

Chemical Analysis ◽

Quantum Chemical ◽

Chemical Shifts ◽

29Si Nmr ◽

Quantum Chemical Analysis ◽

Nmr Chemical Shifts

Download Full-text

Geometry of α-Cyclodextrin Inclusion Complex with m-Nitrophenol Deduced from Quantum Chemical Analysis of Carbon-13 Chemical Shifts

Inclusion Phenomena in Inorganic, Organic, and Organometallic Hosts ◽

10.1007/978-94-009-3987-5_5 ◽

1987 ◽

pp. 55-58

Author(s):

Y. Inoue ◽

M. Kitagawa ◽

H. Hoshi ◽

M. Sakurai ◽

R. Chûjô

Keyword(s):

Chemical Analysis ◽

Inclusion Complex ◽

Quantum Chemical ◽

Chemical Shifts ◽

Quantum Chemical Analysis ◽

Cyclodextrin Inclusion ◽

Cyclodextrin Inclusion Complex

Download Full-text

Delocalization Does Not Always Stabilize: A Quantum Chemical Analysis of α-Substituent Effects on 54 Alkyl and Vinyl Cations

The Journal of Physical Chemistry A ◽

10.1021/jp021766j ◽

2002 ◽

Vol 106 (44) ◽

pp. 10681-10690 ◽

Cited By ~ 25

Author(s):

Kaj van Alem ◽

Gerrit Lodder ◽

Han Zuilhof

Keyword(s):

Chemical Analysis ◽

Quantum Chemical ◽

Substituent Effects ◽

Quantum Chemical Analysis

Download Full-text

Geometry of ?-cyclodextrin inclusion complex with m-nitrophenol deduced from quantum chemical analysis of carbon-13 chemical shifts

Journal of Inclusion Phenomena ◽

10.1007/bf00656402 ◽

1987 ◽

Vol 5 (1) ◽

pp. 55-58 ◽

Cited By ~ 7

Author(s):

Y. Inoue ◽

M. Kitagawa ◽

H. Hoshi ◽

M. Sakurai ◽

R. Ch�j�

Keyword(s):

Chemical Analysis ◽

Inclusion Complex ◽

Quantum Chemical ◽

Chemical Shifts ◽

Quantum Chemical Analysis ◽

Cyclodextrin Inclusion ◽

Cyclodextrin Inclusion Complex

Download Full-text

QUANTUM CHEMICAL ANALYSIS OF STRUCTURE AND PROPERTIES OF (ALB2)N AND (MGB2)N CLUSTERS

8th International Symposium on Nonequilibrium Processes, Plasma, Combustion, and Atmospheric Phenomena held Том. Volum 1. Kinetics and plasma ◽

10.30826/nepcap2018-1-24 ◽

2018 ◽

Author(s):

B. I. LOUKHOVITSKI ◽

◽

A. S. SHARIPOV ◽

Keyword(s):

Chemical Analysis ◽

Quantum Chemical ◽

Structure And Properties ◽

Quantum Chemical Analysis

Download Full-text

Quantum Chemical Analysis of the Unfolding of a Penta-alanyl 310-Helix Initiated by HO•, HO2•and O2–•

The Journal of Physical Chemistry B ◽

10.1021/jp202345p ◽

2011 ◽

Vol 115 (24) ◽

pp. 8014-8023 ◽

Cited By ~ 17

Author(s):

Michael C. Owen ◽

Bela Viskolcz ◽

Imre G. Csizmadia

Keyword(s):

Chemical Analysis ◽

Quantum Chemical ◽

Quantum Chemical Analysis ◽

310 Helix

Download Full-text

Quantum chemical analysis of the interactions of transition state analogs with leucine aminopeptidase

International Journal of Quantum Chemistry ◽

10.1002/qua.1335 ◽

2001 ◽

Vol 84 (2) ◽

pp. 302-310 ◽

Cited By ~ 6

Author(s):

J. Grembecka ◽

W. A. Sokalski ◽

P. Kafarski

Keyword(s):

Chemical Analysis ◽

Transition State ◽

Quantum Chemical ◽

Leucine Aminopeptidase ◽

Quantum Chemical Analysis ◽

Transition State Analogs

Download Full-text

A First-Principles Quantum Chemical Analysis of the Factors Controlling Ruffling Deformations of Porphyrins: Insights from the Molecular Structures and Potential Energy Surfaces of Silicon, Phosphorus, Germanium, and Arsenic Porphyrins and of a Peroxidase Compound I Model

Journal of the American Chemical Society ◽

10.1021/ja992457i ◽

1999 ◽

Vol 121 (51) ◽

pp. 12154-12160 ◽

Cited By ~ 45

Author(s):

Torgil Vangberg ◽

Abhik Ghosh

Keyword(s):

Chemical Analysis ◽

Potential Energy ◽

First Principles ◽

Quantum Chemical ◽

Potential Energy Surfaces ◽

Molecular Structures ◽

Compound I ◽

Quantum Chemical Analysis ◽

Energy Surfaces

Download Full-text

Structure determination and quantum chemical analysis of chalcone derivatives

Journal of Molecular Structure ◽

10.1016/j.molstruc.2018.11.048 ◽

2019 ◽

Vol 1179 ◽

pp. 568-575 ◽

Cited By ~ 6

Author(s):

G. Maragatham ◽

S. Selvarani ◽

P. Rajakumar ◽

S. Lakshmi

Keyword(s):

Chemical Analysis ◽

Structure Determination ◽

Quantum Chemical ◽

Quantum Chemical Analysis ◽

Chalcone Derivatives

Download Full-text