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

Dominik Auer; Carsten Strohmann; Alexei V. Arbuznikov; Martin Kaupp

doi:10.1021/om030101g

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

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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

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“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

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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

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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

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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

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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

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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

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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

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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

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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

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