Electronic structure of organobismuth compounds: effective core potential and semiempirical calculations

Lawrence L. Lohr; Arthur J. Ashe

doi:10.1021/om00026a020

Electronic structure of organobismuth compounds: effective core potential and semiempirical calculations

Organometallics ◽

10.1021/om00026a020 ◽

1993 ◽

Vol 12 (2) ◽

pp. 343-346 ◽

Cited By ~ 15

Author(s):

Lawrence L. Lohr ◽

Arthur J. Ashe

Keyword(s):

Electronic Structure ◽

Semiempirical Calculations ◽

Effective Core Potential ◽

Core Potential

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Electronic structure of heavy metal diatomics from ab initio relativistic effective core potential studies

Faraday Symposia of the Chemical Society ◽

10.1039/fs9801400149 ◽

1980 ◽

Vol 14 ◽

pp. 149 ◽

Cited By ~ 24

Author(s):

Harold Basch

Keyword(s):

Heavy Metal ◽

Electronic Structure ◽

Ab Initio ◽

Effective Core Potential ◽

Core Potential

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Studies on the electronic structure of trigonal selenium and tellurium using the effective core potential approximation

Chemical Physics Letters ◽

10.1016/0009-2614(88)85242-4 ◽

1988 ◽

Vol 153 (5) ◽

pp. 451-457 ◽

Cited By ~ 4

Author(s):

P. Saalfrank ◽

P. Otto ◽

J. Ladik

Keyword(s):

Electronic Structure ◽

Effective Core Potential ◽

Potential Approximation ◽

Core Potential

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The geometric and electronic structure of small copper clusters Cun and Cu+n (n=1–3) by an effective core potential method

The Journal of Chemical Physics ◽

10.1063/1.448720 ◽

1985 ◽

Vol 82 (10) ◽

pp. 4633-4640 ◽

Cited By ~ 23

Author(s):

Sheng‐Wei Wang

Keyword(s):

Electronic Structure ◽

Potential Method ◽

Effective Core Potential ◽

Core Potential ◽

Copper Clusters

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An effective core potential ab initio study of electronic structure and bandwidth-charge transport relationships in low-dimensional, partially oxidized palladium glyoximates

Inorganic Chemistry ◽

10.1021/ic00112a006 ◽

1995 ◽

Vol 34 (8) ◽

pp. 1983-1987 ◽

Cited By ~ 1

Author(s):

Santo Di Bella ◽

l Giuseppe Lanza ◽

Ignazio Fragalal ◽

Tobin J. Marksl ◽

Mark A. Ratnerl

Keyword(s):

Electronic Structure ◽

Charge Transport ◽

Ab Initio ◽

Ab Initio Study ◽

Effective Core Potential ◽

Core Potential ◽

Low Dimensional

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ChemInform Abstract: THE GEOMETRIC AND ELECTRONIC STRUCTURE OF SMALL COPPER CLUSTERS CUN AND CUN+ (N = 1-3) BY AN EFFECTIVE CORE POTENTIAL METHOD

Chemischer Informationsdienst ◽

10.1002/chin.198536003 ◽

1985 ◽

Vol 16 (36) ◽

Author(s):

S.-W. WANG

Keyword(s):

Electronic Structure ◽

Potential Method ◽

Effective Core Potential ◽

Core Potential ◽

Copper Clusters

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Effective core potential‐configuration interaction study of electronic structure and geometry of small neutral and cationic Agnclusters: Predictions and interpretation of measured properties

The Journal of Chemical Physics ◽

10.1063/1.464552 ◽

1993 ◽

Vol 98 (10) ◽

pp. 7981-7994 ◽

Cited By ~ 217

Author(s):

V. Bonačić‐Koutecký ◽

L. Češpiva ◽

P. Fantucci ◽

J. Koutecký

Keyword(s):

Electronic Structure ◽

Configuration Interaction ◽

Effective Core Potential ◽

Interaction Study ◽

Core Potential

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Effective core potential‐configuration interaction study of electronic structure and geometry of small anionic Agn clusters: Predictions and interpretation of photodetachment spectra

The Journal of Chemical Physics ◽

10.1063/1.466964 ◽

1994 ◽

Vol 100 (1) ◽

pp. 490-506 ◽

Cited By ~ 105

Author(s):

V. Bonačić‐Koutecký ◽

L. Češpiva ◽

P. Fantucci ◽

J. Pittner ◽

J. Koutecký

Keyword(s):

Electronic Structure ◽

Configuration Interaction ◽

Effective Core Potential ◽

Interaction Study ◽

Core Potential

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Bonding and electronic structure in diatomic ThO: Quasirelativistic effective core potential calculations

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(88)80268-9 ◽

1988 ◽

Vol 169 ◽

pp. 339-354 ◽

Cited By ~ 45

Author(s):

Christel M. Marian ◽

Ulf Wahlgren ◽

Odd Gropen ◽

Pekka Pyykkö

Keyword(s):

Electronic Structure ◽

Effective Core Potential ◽

Core Potential

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Electronic structure of carbonyl oxides. Semiempirical calculations of ground-state properties and UV-visible spectra

The Journal of Organic Chemistry ◽

10.1021/jo00272a009 ◽

1989 ◽

Vol 54 (11) ◽

pp. 2515-2522 ◽

Cited By ~ 33

Author(s):

Dieter Cremer ◽

Thomas Schmidt ◽

Wolfram Sander ◽

Peter Bischof

Keyword(s):

Electronic Structure ◽

Ground State ◽

Semiempirical Calculations ◽

Carbonyl Oxides ◽

Ground State Properties ◽

Visible Spectra ◽

Uv Visible

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Efficient implementation of effective core potential integrals and gradients on graphical processing units

The Journal of Chemical Physics ◽

10.1063/1.4922844 ◽

2015 ◽

Vol 143 (1) ◽

pp. 014114 ◽

Cited By ~ 12

Author(s):

Chenchen Song ◽

Lee-Ping Wang ◽

Torsten Sachse ◽

Julia Preiß ◽

Martin Presselt ◽

...

Keyword(s):

Efficient Implementation ◽

Effective Core Potential ◽

Core Potential ◽

Graphical Processing Units ◽

Graphical Processing

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