Applied Quantum Chemistry
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28

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4

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Published By Springer Netherlands

9789401086097, 9789400947467

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Very Accurate Coupled Cluster Calculations for Diatomic Systems with Numerical Orbitals

Applied Quantum Chemistry ◽

10.1007/978-94-009-4746-7_9 ◽

1986 ◽

pp. 111-133 ◽

Author(s):

Ludwik Adamowicz ◽

Rodney J. Bartlett

Keyword(s):

Coupled Cluster ◽

Cluster Calculations ◽

Diatomic Systems ◽

Coupled Cluster Calculations

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An ab initio calculation of vibrational states of the H3O+ ion

Applied Quantum Chemistry ◽

10.1007/978-94-009-4746-7_27 ◽

1986 ◽

pp. 421-430

Author(s):

Norihiro Shida ◽

Kiyoshi Tanaka ◽

Kimio Ohno

Keyword(s):

Ab Initio ◽

Ab Initio Calculation ◽

Vibrational States

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Theoretical Investigations of the Ammonium Radicals NH4, ND4 and NT4: Ground State Stability and Rydberg Transitions

Applied Quantum Chemistry ◽

10.1007/978-94-009-4746-7_26 ◽

1986 ◽

pp. 403-420 ◽

Author(s):

Johannes Kaspar ◽

Vedene H. Smith ◽

Blair N. McMaster

Keyword(s):

Ground State ◽

Theoretical Investigations ◽

Ground State Stability ◽

Rydberg Transitions

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Theoretical Study of the Conformational Properties and Torsional Potential Functions of Polyalkylmethacrylate Polymers

Applied Quantum Chemistry ◽

10.1007/978-94-009-4746-7_22 ◽

1986 ◽

pp. 347-359 ◽

Author(s):

Bernard C. Laskowski ◽

Richard L. Jaffe ◽

Andrew Komornicki

Keyword(s):

Theoretical Study ◽

Potential Functions ◽

Torsional Potential ◽

Conformational Properties

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Proton Affinity of Germane (GeH4): The Chemical Bond of its Protonated Species (GeH5 +)

Applied Quantum Chemistry ◽

10.1007/978-94-009-4746-7_20 ◽

1986 ◽

pp. 313-323

Author(s):

S. Ikuta ◽

S. K. Sudoh ◽

S. Katagiri ◽

O. Nomura

Keyword(s):

Proton Affinity ◽

Chemical Bond ◽

Protonated Species

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Binary SN Ring Systems and Related Heterocyclothiazenes

Applied Quantum Chemistry ◽

10.1007/978-94-009-4746-7_18 ◽

1986 ◽

pp. 269-298 ◽

Author(s):

W. G. Laidlaw ◽

M. Trsic

Keyword(s):

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Structures, Stability, and Reactivity of Doubly Bonded Compounds Containing Silicon or Germanium

Applied Quantum Chemistry ◽

10.1007/978-94-009-4746-7_17 ◽

1986 ◽

pp. 249-267 ◽

Author(s):

S. Nagase ◽

T. Kudo ◽

K. Ito

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Molecular Conformation and Potential Energy Surface Topology

Applied Quantum Chemistry ◽

10.1007/978-94-009-4746-7_6 ◽

1986 ◽

pp. 75-83 ◽

Author(s):

I. G. Csizmadia ◽

J. G. Angyan

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Molecular Conformation ◽

Surface Topology

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Bonding and Reactivity of Tungstenacyclobutadiene Complexes

Applied Quantum Chemistry ◽

10.1007/978-94-009-4746-7_15 ◽

1986 ◽

pp. 231-242

Author(s):

Jerome K. Silvestre ◽

Thomas A. Albright

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Quantum Chemical Studies on Reaction Mechanism and Reaction Path

Applied Quantum Chemistry ◽

10.1007/978-94-009-4746-7_7 ◽

1986 ◽

pp. 85-91

Author(s):

R. Z. Liu

Keyword(s):

Reaction Mechanism ◽

Quantum Chemical ◽

Reaction Path ◽

Chemical Studies ◽

Quantum Chemical Studies

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