Frontier orbital crossing and ambident reactivity in phosphorus(III) systems with (p–p)π-bonds

Frontier-Orbital Interactions along the Intrinsic Reaction Coordinates of Ketene Dimerizations

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.66.3283 ◽

1993 ◽

Vol 66 (11) ◽

pp. 3283-3288 ◽

Cited By ~ 3

Author(s):

Shinichi Yamabe ◽

Tsutomu Minato

Keyword(s):

Frontier Orbital ◽

Orbital Interactions ◽

Reaction Coordinates

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Facile preparation of g-C3N4 modified BiOCl hybrid photocatalyst and vital role of frontier orbital energy levels of model compounds in photoactivity enhancement

Journal of Colloid and Interface Science ◽

10.1016/j.jcis.2013.10.052 ◽

2014 ◽

Vol 416 ◽

pp. 212-219 ◽

Cited By ~ 91

Author(s):

Shan Shi ◽

M.A. Gondal ◽

A.A. Al-Saadi ◽

Radek Fajgar ◽

Jaroslav Kupcik ◽

...

Keyword(s):

Energy Levels ◽

Vital Role ◽

Orbital Energy ◽

Frontier Orbital ◽

Model Compounds ◽

Facile Preparation ◽

Frontier Orbital Energy ◽

Hybrid Photocatalyst

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Trapping of radical intermediate in reaction of sulphonates with sodium iodide/zinc/dme. Total frontier orbital control of stereoselectivity in ring closure.

Tetrahedron Letters ◽

10.1016/s0040-4039(00)85633-6 ◽

1982 ◽

Vol 23 (43) ◽

pp. 4481-4484 ◽

Cited By ~ 12

Author(s):

Suresh K. Pradhan ◽

Jayant N. Kolhe ◽

Jehangir S. Mistry

Keyword(s):

Sodium Iodide ◽

Ring Closure ◽

Frontier Orbital ◽

Radical Intermediate ◽

Orbital Control

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A Claim on the Development of the Frontier Orbital Explanation of Electrocyclic Reactions

Angewandte Chemie International Edition ◽

10.1002/anie.200461440 ◽

2004 ◽

Vol 43 (48) ◽

pp. 6586-6590 ◽

Cited By ~ 18

Author(s):

Roald Hoffmann

Keyword(s):

Frontier Orbital ◽

Electrocyclic Reactions

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ChemInform Abstract: Frontier Orbital Interactions in the Regioselectivity of the Amination of Nitroquinolines by Liquid Ammonia/Potassium Permanganate.

ChemInform ◽

10.1002/chin.198821110 ◽

1988 ◽

Vol 19 (21) ◽

Author(s):

M. WOZNIAK ◽

A. BARANSKI ◽

K. NOWAK ◽

H. C. VAN DER PLAS

Keyword(s):

Potassium Permanganate ◽

Liquid Ammonia ◽

Frontier Orbital ◽

Orbital Interactions

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Orbital Crossing on Split Fermi Surfaces in Noncentrosymmetric Yb4Sb3

Journal of the Physical Society of Japan ◽

10.7566/jpsj.87.114708 ◽

2018 ◽

Vol 87 (11) ◽

pp. 114708 ◽

Cited By ~ 6

Author(s):

Noriaki Kimura ◽

Hiroki Sano ◽

Makoto Shirakawa ◽

Akira Ochiai ◽

Hiroki Funashima ◽

...

Keyword(s):

Fermi Surfaces ◽

Orbital Crossing

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Analysis of electrochemical electron transfer mechanisms in molten salts by the frontier orbital method

Doklady Physical Chemistry ◽

10.1134/s001250161707003x ◽

2017 ◽

Vol 475 (1) ◽

pp. 122-125

Author(s):

V. G. Kremenetsky ◽

A. I. Nikolaev ◽

S. A. Kuznetsov

Keyword(s):

Electron Transfer ◽

Molten Salts ◽

Orbital Method ◽

Frontier Orbital ◽

Transfer Mechanisms

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On the influence of spiroconjugation and electron-withdrawing effects on the Frontier orbital energies of 5-substituted cyclopentadienes

Tetrahedron Letters ◽

10.1016/0040-4039(94)88052-2 ◽

1994 ◽

Vol 35 (33) ◽

pp. 5973-5976 ◽

Cited By ~ 1

Author(s):

J.Venkat Raman ◽

Kent E. Nielsen ◽

Leslie H. Randall ◽

Luke A. Burke ◽

Gary I. Dmitrienko

Keyword(s):

Frontier Orbital ◽

Orbital Energies

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FRONTIER-ORBITAL RING CURRENTS AND THE ANNULENE ANALOGY

Polycyclic Aromatic Compounds ◽

10.1080/10406630490468540 ◽

2004 ◽

Vol 24 (4-5) ◽

pp. 353-366 ◽

Cited By ~ 4

Author(s):

P. W. Fowler ◽

A. Soncini

Keyword(s):

Frontier Orbital ◽

Ring Currents

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A NEW ORBITAL INTERACTION ANALYSIS SYSTEM "LUMMOX" AND IT'S APPLICATION OF PHOSPHINE-PALLADIUM COMPLEXES

Journal of Theoretical and Computational Chemistry ◽

10.1142/s0219633605001489 ◽

2005 ◽

Vol 04 (01) ◽

pp. 345-355 ◽

Cited By ~ 2

Author(s):

MASAHIRO YAMANAKA ◽

AKINOBU SHIGA

Keyword(s):

Interaction Analysis ◽

Palladium Complexes ◽

Orbital Interaction ◽

Frontier Orbital ◽

System A ◽

Analysis System

A new orbital interaction analysis system, "LUMMOX", is based on two theories of "Paired Interacting Orbital (PIO)" and "Localized Frontier Orbital (LFO)", which have been developed by Fujimoto et al. LUMMOX can readily estimate the reactivity of an interacting system A–B of various sizes with the same A by comparing with the same number of the interacting orbitals. By applying LUMMOX, we report herein the primary orbital interaction on the phosphine-palladium complexes ( PF 3 Pd , PH 3 Pd , PMe 3 Pd , PPh 3 Pd ) continuously changes from the donative to back-donative interaction.

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