Solids modeled by ab initio crystal field methods. X. Structure of α‐glycine, β‐glycine, and γ‐glycine using a 15‐molecule cluster

Anik Peeters; C. Van Alsenoy; A. T. H. Lenstra; H. J. Geise

doi:10.1063/1.470390

Solids modeled by ab initio crystal field methods. X. Structure of α‐glycine, β‐glycine, and γ‐glycine using a 15‐molecule cluster

The Journal of Chemical Physics ◽

10.1063/1.470390 ◽

1995 ◽

Vol 103 (15) ◽

pp. 6608-6616 ◽

Cited By ~ 21

Author(s):

Anik Peeters ◽

C. Van Alsenoy ◽

A. T. H. Lenstra ◽

H. J. Geise

Keyword(s):

Ab Initio ◽

Crystal Field ◽

Field Methods

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Solids modeled by ab initio crystal field methods. Part 20. Charge transfer in white form of dimethyl 3,6-dichloro-2,5-dihydroxyterephthalate

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(01)00428-6 ◽

2001 ◽

Vol 546 (1-3) ◽

pp. 25-32 ◽

Cited By ~ 2

Author(s):

A Peeters ◽

A.T.H Lenstra ◽

V.E Van Doren ◽

C Van Alsenoy

Keyword(s):

Charge Transfer ◽

Ab Initio ◽

Crystal Field ◽

Field Methods ◽

White Form

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Solids Modeled by Ab-Initio Crystal Field Methods. Part 17. Study of the Structure and Vibrational Spectrum of Urea in the Gas Phase and in ItsP4̄21mCrystal Phase

The Journal of Physical Chemistry A ◽

10.1021/jp981008m ◽

1998 ◽

Vol 102 (32) ◽

pp. 6540-6548 ◽

Cited By ~ 57

Author(s):

B. Rousseau ◽

C. Van Alsenoy ◽

R. Keuleers ◽

H. O. Desseyn

Keyword(s):

Vibrational Spectrum ◽

Ab Initio ◽

Gas Phase ◽

Crystal Field ◽

Field Methods

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Solids Modeled by ab Initio Crystal Field Methods. 21. Study of the Structure and Vibrational Spectrum ofN,N‘-Dimethylurea in the Gas Phase and in ItsCcCrystal Phase

The Journal of Physical Chemistry A ◽

10.1021/jp000094z ◽

2000 ◽

Vol 104 (25) ◽

pp. 5946-5954 ◽

Cited By ~ 10

Author(s):

R. Keuleers ◽

H. O. Desseyn ◽

B. Rousseau ◽

C. Van Alsenoy

Keyword(s):

Vibrational Spectrum ◽

Ab Initio ◽

Gas Phase ◽

Crystal Field ◽

Field Methods

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Solids modeled by ab initio crystal field methods. Part 19. Structure of yellow and light yellow form of dimethyl 3,6-dichloro-2,5-dihydroxyterephthalate

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(01)00375-x ◽

2001 ◽

Vol 546 (1-3) ◽

pp. 17-24 ◽

Cited By ~ 6

Author(s):

A Peeters ◽

A.T.H Lenstra ◽

V.E Van Doren ◽

C Van Alsenoy

Keyword(s):

Ab Initio ◽

Crystal Field ◽

Field Methods ◽

Light Yellow

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Solids Modeled by ab Initio Crystal-Field Methods. 12. Structure, Orientation, and Position of A-Type Carbonate in a Hydroxyapatite Lattice

The Journal of Physical Chemistry B ◽

10.1021/jp964041m ◽

1997 ◽

Vol 101 (20) ◽

pp. 3995-3998 ◽

Cited By ~ 25

Author(s):

Anik Peeters ◽

Erna A. P. De Maeyer ◽

Christian Van Alsenoy ◽

Ronald M. H. Verbeeck

Keyword(s):

Ab Initio ◽

Crystal Field ◽

Field Methods ◽

Structure Orientation

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Solids modeled by ab-initio crystal field methods. Effects of intermolecular interactions on the vibrational spectrum of urea

Chemical Physics Letters ◽

10.1016/s0009-2614(99)00108-6 ◽

1999 ◽

Vol 302 (1-2) ◽

pp. 55-59 ◽

Cited By ~ 23

Author(s):

B Rousseau ◽

R Keuleers ◽

H.O Desseyn ◽

H.J Geise ◽

C Van Alsenoy

Keyword(s):

Vibrational Spectrum ◽

Ab Initio ◽

Crystal Field ◽

Intermolecular Interactions ◽

Field Methods

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Interpreting ab initio energy level calculations for the trivalent praseodymium ion using a parametrized crystal-field Hamiltonian

Optical Materials ◽

10.1016/j.optmat.2020.109998 ◽

2020 ◽

Vol 106 ◽

pp. 109998

Author(s):

Alexander J. Salkeld ◽

Michael F. Reid ◽

Jon-Paul R. Wells

Keyword(s):

Energy Level ◽

Ab Initio ◽

Crystal Field

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Solids modeled byab initio crystal field methods. Part 16: Anab initio study of the geometry of 2-(2-methyl-3-chloroanilino) nicotinic acid: gas phase and solid state calculations

Electronic Journal of Theoretical Chemistry ◽

10.1002/ejtc.50 ◽

1997 ◽

Vol 2 (1) ◽

pp. 168-179 ◽

Cited By ~ 2

Author(s):

K. Franckaerts ◽

A. Peeters ◽

A. T. H. Lenstra ◽

C. Van Alsenoy

Keyword(s):

Solid State ◽

Nicotinic Acid ◽

Gas Phase ◽

Crystal Field ◽

Field Methods ◽

Acid Gas

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Ab initio calculation of crystal field parameters in several RT/sub 5/ (R=rare earth; T=Co, Ni) compounds

IEEE Transactions on Magnetics ◽

10.1109/20.312482 ◽

1994 ◽

Vol 30 (2) ◽

pp. 1036-1038 ◽

Cited By ~ 13

Author(s):

P. Novak ◽

J. Kuriplach

Keyword(s):

Rare Earth ◽

Ab Initio ◽

Crystal Field ◽

Ab Initio Calculation ◽

Crystal Field Parameters

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Ab initio calculation of the crystal field in RFe12 and RFe8M4 (M = Ti, V, Mo)

Journal of Magnetism and Magnetic Materials ◽

10.1016/s0304-8853(98)00945-7 ◽

1999 ◽

Vol 196-197 ◽

pp. 762-764 ◽

Cited By ~ 5

Author(s):

M.D. Kuz'min ◽

M. Richter ◽

H. Eschrig

Keyword(s):

Ab Initio ◽

Crystal Field ◽

Ab Initio Calculation

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