Chemistry Reference
In-Depth Information
. 4.. D..R..Salahub,.A..Goursot,.J..Weber,.A..M..Köster,.A..Vela,.
Theory and Applications
of Theoretical Chemistry: The First Forty Years
,.Elsevier,.Amsterdam,.the.Netherlands.
(2005).
. 5.. D.. R.. Salahub,. R.. Fournier,. P.. Mlynarski,. I.. Papai,. A.. St-Amant,. J.. Ushio,.
Density
Functional Methods in Chemistry
,.Springer,.New.York.(1991).
. 6.. A.. M.. Köster,. P.. Calaminici,. Z.. Gómez,. U.. Reveles,.
Reviews of Modern Quantum
Chemistry, A Celebration of the Contribution of Robert G Parr
,. World. Scientiic.
Publishing.Co.,.Singapore.(2002).
. 7.. A..M..Köster,.A..Goursot,.D..R..Salahub,.
Comprehensive Coordination Chemistry II:
From Biology to Nanotechnology
,.Vol..1,.Elsevier,.Amsterdam,.the.Netherlands.(2003).
. 8.. P..Hohenberg,.W..Kohn,.
Phys. Rev
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136
,.B864.(1964).
. 9.. W..Kohn,.J..Sham,.
Phys. Rev
..
137
,.A1697.(1965).
. 10.. J..C..Slater,.
Phys. Rev
..
81
,.385.(1951).
. 11.. B..I..Dunlap,.J..W..D..Connolly,.J..R..Sabin,.
J. Chem. Phys
..
71
,.4993.(1982).
. 12.. J..W..Mintmire,.B..I..Dunlap,.
Phys Rev. A
.
25
,.88.(1982).
. 13.. J..W..Mintmire,.J..R..Sabin,.S..B..Trickey,.
Phys. Rev. B
.
26
,.1743.(1982).
. 14.. E..J..Baerends,.D..E..Ellis,.P..Ros,.
Chem. Phys
..
2
,.41.(1973).
. 15.. J..Andzelm,.E..Radzio,.D..R..Salahub,.
J. Comp. Chem
..
6
,.520.(1985).
. 16.. J..Andzelm,.N..Russo,.D..R..Salahub,.
J. Chem. Phys
..
87
,.6562.(1987).
. 17.. A..M..Köster,.
J. Chem. Phys
..
118
,.9943.(2003).
. 18.. S..B..Trickey,.J..A..Alford,.J..C..Boettger,.
Computational Materials Science, Theoretical
and Computational Chemistry
,.Vol..15,.Elsevier,.Amsterdam,.the.Netherlands.(2004).
. 19.. A..M..Köster,.Habilitation.thesis,.Universität.Hannover,.Hannover,.Germany.(1998).
. 20.. O..Vahtras,.J..Almlöf,.M..W..Feyereisen,.
Chem. Phys. Lett
..
213
,.514.(1993).
. 21.. H..Sambe,.R..H..Felton,.
J. Chem. Phys
..
62
,.1122.(1975).
. 22.. A..St-Amant,.D..R..Salahub,.
Chem. Phys. Lett
..
169
,.387.(1990).
. 23.. M.. E.. Casida,. C.. Daul,.A.. Goursot,.A.. M.. Köster,. L.. G.. M.. Pettersson,. E.. Proynov,.
A. St.-Amant. et. al.,. deMon-KS. Version. 3.4,. deMon. Software,. Montréal,. Quebec,.
Canada.(1996).
. 24.. V..G..Malkin,.O..L..Malkina,.M..E..Casida,.D..R..Salahub,.
J. Am. Chem. Soc
..
116
,.5898.
(1994).
. 25.. C..Jamorski,.M..E..Casida,.D..R..Salahub,.
J. Chem. Phys
..
104
,.5134.(1996).
. 26.. A..M..Köster,.M..Leboeuf,.D..R..Salahub,.
Molecular Electrostatic Potentials, Concepts
and Applications
,.Elsevier,.Amsterdam,.the.Netherlands.(1996);.pp..105-142.
. 27.. A..M..Köster,.P..Calaminici,.N..Russo,.
Phys. Rev. A
.
53
,.3865.(1996).
. 28.. L..Versluis,.T..Ziegler,.
J. Chem. Phys
..
88
,.322.(1988).
. 29.. J..Andzelm,.E..Wimmer,.
Physica B
.
172
,.307.(1991).
. 30.. J..Guan,.M..E..Casida,.A..M..Köster,.D..R..Salahub,.
Phys. Rev. B
.
52
,.2184.(1995).
. 31.. K.. Hermann,. L.G.M.. Pettersson,. M.. E.. Casida,. C.. Daul,. A.. Goursot,. A.. M.. Köster,.
E. Proynov,.A..St-Amant,.D..R..Salahub..Contributing.authors:.V..Carravetta,.H..Duarte,.
C..Friedrich,.N..Godbout,.J..Guan,.C..Jamorski,.M..Leboeuf,.M..Leetmaa,.M..Nyberg,.
S.. Patchkovskii,. L.. Pedocchi,. F.. Sim,. L..Triguero,.A..Vela,. StoBe-deMon. version. 2.2.
(2006).
. 32.. A..M..Köster,.M..Krack,.M..Leboeuf,.B..Zimmermann,.AllChem,.Universität.Hannover,.
Hannover,.Germany.(1998).
. 33.. A..M..Köster,.P..Calaminici,.M..E..Casida,.R..Flores-Moreno,.G..Geudtner,.A..Goursot,.
T..Heine.et.al.,.The.deMon.developers,.CINVESTAV,.Mexico-City.(2006)..http://www.
demon-software.com.
. 34.. A..M..Köster,.J..U..Reveles,.J..M..del.Campo,.
J. Chem. Phys
..
121
,.3417.(2004).
. 35.. G..Geudtner,.F..Janetzko,.A..M..Köster,.A..Vela,.P..Calaminici,.
J. Comput. Chem
..
27
,.
483.(2006).
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