Structural and solvent effects on the spectroscopic properties of 1, 8-naphthalimide derivatives: A density functional study

Qi Qi; Yongquan Ha; Yueming Sun

doi:10.1002/qua.22522

Structural and solvent effects on the spectroscopic properties of 1, 8-naphthalimide derivatives: A density functional study

International Journal of Quantum Chemistry ◽

10.1002/qua.22522 ◽

2011 ◽

Vol 111 (10) ◽

pp. 2234-2241 ◽

Cited By ~ 7

Author(s):

Qi Qi ◽

Yongquan Ha ◽

Yueming Sun

Keyword(s):

Solvent Effects ◽

Density Functional ◽

Spectroscopic Properties ◽

Functional Study ◽

Density Functional Study

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Density functional study of surface forces in athermal polymer solutions with additive hard sphere interactions: Solvent effects, capillary condensation, and capillary-induced surface transitions

The Journal of Chemical Physics ◽

10.1063/1.1486445 ◽

2002 ◽

Vol 117 (4) ◽

pp. 1915-1926 ◽

Cited By ~ 31

Author(s):

Jan Forsman ◽

Clifford E. Woodward ◽

Ben C. Freasier

Keyword(s):

Solvent Effects ◽

Hard Sphere ◽

Density Functional ◽

Polymer Solutions ◽

Capillary Condensation ◽

Surface Forces ◽

Functional Study ◽

Density Functional Study

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B3LYP density functional study on spectroscopic properties of CuO− and CuS−

International Journal of Quantum Chemistry ◽

10.1002/qua.20673 ◽

2005 ◽

Vol 105 (1) ◽

pp. 43-47 ◽

Cited By ~ 6

Author(s):

S. Midda ◽

N. C. Bera ◽

A. K. Das

Keyword(s):

Density Functional ◽

Spectroscopic Properties ◽

Functional Study ◽

Density Functional Study

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Density functional study of configurational, conformational, energetic, electronic and spectroscopic properties of fluorohydroxyformaldoxime and its dehydration products

Physical Chemistry Chemical Physics ◽

10.1039/a905918k ◽

1999 ◽

Vol 1 (19) ◽

pp. 4541-4547 ◽

Cited By ~ 2

Author(s):

Athanassios C. Tsipis ◽

Constantinos A. Tsipis

Keyword(s):

Density Functional ◽

Spectroscopic Properties ◽

Functional Study ◽

Density Functional Study

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The influence of the counterion B(C6F5)3CH3– and solvent effects on the propagation and termination steps of ethylene polymerization catalyzed by Cp2ZrR+ (R=Me,Pr). A density functional study

Comptes Rendus Chimie ◽

10.1016/j.crci.2004.10.036 ◽

2005 ◽

Vol 8 (9-10) ◽

pp. 1552-1565 ◽

Cited By ~ 12

Author(s):

Tom Ziegler ◽

Kumar Vanka ◽

Zhitao Xu

Keyword(s):

Solvent Effects ◽

Ethylene Polymerization ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Comment on “B3LYP density functional study on spectroscopic properties of CuO− and CuS−”

International Journal of Quantum Chemistry ◽

10.1002/qua.20927 ◽

2006 ◽

Vol 106 (7) ◽

pp. 1721-1721 ◽

Cited By ~ 1

Author(s):

George Maroulis

Keyword(s):

Density Functional ◽

Spectroscopic Properties ◽

Functional Study ◽

Density Functional Study

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Role of Polar and Enthalpic Effects in the Addition of Methyl Radical to Substituted Alkenes: A Density Functional Study Including Solvent Effects

Journal of the American Chemical Society ◽

10.1021/ja973896p ◽

1998 ◽

Vol 120 (23) ◽

pp. 5733-5740 ◽

Cited By ~ 22

Author(s):

Roger Arnaud ◽

Nicolas Bugaud ◽

Valentina Vetere ◽

Vincenzo Barone

Keyword(s):

Solvent Effects ◽

Density Functional ◽

Functional Study ◽

Methyl Radical ◽

Density Functional Study

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Solvent Effects on the Activation Barriers of Olefin Epoxidation − A Density Functional Study

European Journal of Organic Chemistry ◽

10.1002/1099-0690(200102)2001:4<719::aid-ejoc719>3.0.co;2-6 ◽

2001 ◽

Vol 2001 (4) ◽

pp. 719-723 ◽

Cited By ~ 19

Author(s):

Philip Gisdakis ◽

Notker Rösch

Keyword(s):

Solvent Effects ◽

Density Functional ◽

Functional Study ◽

Olefin Epoxidation ◽

Activation Barriers ◽

Density Functional Study

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Coordinative Behavior of the CNCN Ligand. Experimental and Density Functional Study of Spectroscopic Properties and Bonding in the Cr(CO)5CNCN Complex

Organometallics ◽

10.1021/om960921b ◽

1997 ◽

Vol 16 (11) ◽

pp. 2254-2262 ◽

Cited By ~ 5

Author(s):

Maxim P. Aarnts ◽

Derk J. Stufkens ◽

Miquel Solà ◽

Evert Jan Baerends

Keyword(s):

Density Functional ◽

Spectroscopic Properties ◽

Functional Study ◽

Density Functional Study

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Solvent Effects on Excited-State Structures: A Quantum Monte Carlo and Density Functional Study

Journal of Chemical Theory and Computation ◽

10.1021/ct500723s ◽

2014 ◽

Vol 10 (12) ◽

pp. 5528-5537 ◽

Cited By ~ 11

Author(s):

Riccardo Guareschi ◽

Franca Maria Floris ◽

Claudio Amovilli ◽

Claudia Filippi

Keyword(s):

Monte Carlo ◽

Excited State ◽

Solvent Effects ◽

Quantum Monte Carlo ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Stationary point structure and energetics: Density functional study including solvent effects on the tautomerization of formamide and 2-pyridone

International Journal of Quantum Chemistry ◽

10.1002/qua.560560520 ◽

1995 ◽

Vol 56 (5) ◽

pp. 645-653 ◽

Cited By ~ 7

Author(s):

Carlo Adamo ◽

Francesco Lelj

Keyword(s):

Solvent Effects ◽

Stationary Point ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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