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1

Extended approximated Born-Oppenheimer equation. II. Application

Adhikari, Satrajit, Billing, Gert D., Alijah, Alexander, Lin, Sheng H., Baer, Michael

Journal:

Physical Review A

Year:

2000

Language:

english

File:

PDF, 101 KB

english, 2000

2

CO 2 Diffusion in Champagne Wines: A Molecular Dynamics Study

Perret, Alexandre, Bonhommeau, David A., Liger-Belair, Gérard, Cours, Thibaud, Alijah, Alexander

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 861 KB

english, 2014

3

Benchmark Linelists and Radiative Cooling Functions for LiH Isotopologues

Diniz, Leonardo G., Alijah, Alexander, Mohallem, José R.

Journal:

The Astrophysical Journal Supplement Series

Year:

2018

Language:

english

File:

PDF, 478 KB

english, 2018

4

ChemInform Abstract: Transition Metal Complexation (Fischer-Type) of Phosphanylcarbenes.

Wolfgang W. Schoeller, Dirk Eisner, Sonja Grigoleit, Alexander B. Rozhenko, Alexander Alijah

Journal:

Year:

2001

File:

PDF, 31 KB

2001

5

Stretch-Bender Calculations of the Rovibronic Energies in the Excited, Ã2A1, Electronic State of NH2 and of the Near-Resonant High-Lying Levels of the X̃2B1 State

Geoffrey Duxbury, Alexander Alijah

Journal:

Journal of Molecular Spectroscopy

Year:

2002

Language:

english

File:

PDF, 266 KB

english, 2002

6

Stretch-Bender Calculations of the Rovibronic Energies in the X̃2B1 Electronic Ground State of NH2

Alexander Alijah, Geoffrey Duxbury

Journal:

Journal of Molecular Spectroscopy

Year:

2002

Language:

english

File:

PDF, 180 KB

english, 2002

7

Renner–Teller and Spin–Orbit Interactions between the Ã2A1 and the X̃2B1 States of NH2: The Stretch-Bender Approach

Alexander Alijah, Geoffrey Duxbury

Journal:

Journal of Molecular Spectroscopy

Year:

2002

Language:

english

File:

PDF, 152 KB

english, 2002

8

On the paradigm

Alexander Alijah, Eugene S. Kryachko

Journal:

Journal of Molecular Structure

Year:

2007

Language:

english

File:

PDF, 315 KB

english, 2007

9

A novel accurate representation of a double-valued potential energy surface by the DMBE method. Application to triplet H3+(a3E′)

António J.C. Varandas, Alexander Alijah, Mihail Cernei

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 406 KB

english, 2005

10

Accurate calculations and assignments of above-barrier states of up to

Alexander Alijah

Journal:

Journal of Molecular Spectroscopy

Year:

2010

Language:

english

File:

PDF, 279 KB

english, 2010

11

Quantized non-adiabatic coupling terms to ensure diabatic potentials

Michael Baer, Alexander Alijah

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 73 KB

english, 2000

12

Ro-vibrational states of triplet H3+ (a3Σu+): The lowest 19 bands

Alexander Alijah, Luı́s P Viegas, Mihail Cernei, António J.C Varandas

Journal:

Journal of Molecular Spectroscopy

Year:

2003

Language:

english

File:

PDF, 147 KB

english, 2003

13

Donor–acceptor interactions with electrophilic terminal phosphinidene complexes

Sonja Grigoleit, Alexander Alijah, Alexander B Rozhenko, Rainer Streubel, Wolfgang W Schoeller

Journal:

Journal of Organometallic Chemistry

Year:

2002

Language:

english

File:

PDF, 186 KB

english, 2002

14

An empirical formula to estimate off-diagonal adiabatic corrections to rotation–vibrational energy levels

Alexander Alijah, Dirk Andrae, Juergen Hinze

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2010

Language:

english

File:

PDF, 456 KB

english, 2010

15

Editorial

Alexander Alijah, Dirk Andrae

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2010

Language:

english

File:

PDF, 205 KB

english, 2010

16

Schrock type transition metal complex formation of push–pull substituted phosphanyl-carbenes, a quantum chemical investigation by density-functional methods

Wolfgang W. Schoeller, Alexander J.B. Rozhenko, Alexander Alijah

Journal:

Journal of Organometallic Chemistry

Year:

2001

Language:

english

File:

PDF, 732 KB

english, 2001

17

J. Sirnons und J. Nichols Quantum Mechanics in Chemistry, ISBN 0-19-508200-1, 624 pages, Hardback £ 48.50

Alexander Alijah

Journal:

Berichte der Bunsengesellschaft für physikalische Chemie

Year:

1998

File:

PDF, 170 KB

1998

18

Effects of orbital angular momentum in PH_2 and PD_2: Renner-Teller and spin-orbit coupling

Alijah, Alexander, Duxbury, Geoffrey

Journal:

Journal of the Optical Society of America B

Year:

1994

Language:

english

File:

PDF, 1.15 MB

english, 1994

19

MD Calculated Structural Properties of Clusters in Liquid Acetonitrile/Water Mixtures with Various Contents of Acetonitrile

Oldiges, Christian, Wittler, Kai, Tönsing, Thorsten, Alijah, Alexander

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 383 KB

english, 2002

20

Rotation-Vibrational States of H3+ using Hyperspherical Coordinates and Harmonics

Alexander Alijah, Juergen Hinze, L. Wolniewicz

Journal:

Berichte der Bunsengesellschaft für physikalische Chemie

Year:

1995

Language:

english

File:

PDF, 262 KB

english, 1995

21

Calibration-quality adiabatic potential energy surfaces for H[sub 3][sup +] and its isotopologues

Pavanello, Michele, Adamowicz, Ludwik, Alijah, Alexander, Zobov, Nikolai F., Mizus, Irina I., Polyansky, Oleg L., Tennyson, Jonathan, Szidarovszky, Tamás, Császár, Attila G.

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.04 MB

english, 2012

22

Precision Measurements and Computations of Transition Energies in Rotationally Cold Triatomic Hydrogen Ions up to the Midvisible Spectral Range

Pavanello, Michele, Adamowicz, Ludwik, Alijah, Alexander, Zobov, Nikolai F., Mizus, Irina I., Polyansky, Oleg L., Tennyson, Jonathan, Szidarovszky, Tamás, Császár, Attila G., Berg, Max, Petrignani, An

Journal:

Physical Review Letters

Year:

2012

Language:

english

File:

PDF, 306 KB

english, 2012

23

The effects of vibrational resonances on Renner–Teller coupling in triatomic molecules: The stretch–bender approach

Duxbury, Geoffrey, McDonald, Barry D., Van Gogh, Marcel, Alijah, Alexander, Jungen, Christian, Palivan, Horatiu

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 744 KB

english, 1998

24

Core-mass nonadiabatic corrections to molecules: H[sub 2], H[sub 2][sup +], and isotopologues

Diniz, Leonardo G., Alijah, Alexander, Mohallem, José Rachid

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 567 KB

english, 2012

25

On the Transition Metal Complexation (Fischer-Type) of Phosphanylcarbenes

Schoeller, Wolfgang W., Eisner, Dirk, Grigoleit, Sonja, Rozhenko, Alexander B., Alijah, Alexander

Journal:

Journal of the American Chemical Society

Year:

2000

Language:

english

File:

PDF, 136 KB

english, 2000

26

using coordinate-dependent vibrational and rotational masses

Diniz, Leonardo G., Mohallem, José Rachid, Alijah, Alexander, Pavanello, Michele, Adamowicz, Ludwik, Polyansky, Oleg L., Tennyson, Jonathan

Journal:

Physical Review A

Year:

2013

Language:

english

File:

PDF, 577 KB

english, 2013

27

Rotation-vibrational states of H 2 D + using hyperspherical coordinates and harmonics

Alijah, Alexander, Hinze, Juergen, Wolniewicz, L.

Journal:

Molecular Physics

Year:

1995

Language:

english

File:

PDF, 812 KB

english, 1995

28

Rotation-vibrational states of D2H+ computed using hyperspherical harmonics

ALIJAH, ALEXANDER

Journal:

Molecular Physics

Year:

1996

Language:

english

File:

PDF, 288 KB

english, 1996

29

Rotation-vibrational states of D 3+ computed using hyperspherical harmonics

Alijah, Alexander, Wolniewicz, L., Hinze, Juergen

Journal:

Molecular Physics

Year:

1995

Language:

english

File:

PDF, 1.05 MB

english, 1995

30

Extended approximated Born-Oppenheimer equation. I. Theory

Baer, Michael, Lin, Sheng H., Alijah, Alexander, Adhikari, Satrajit, Billing, Gert D.

Journal:

Physical Review A

Year:

2000

Language:

english

File:

PDF, 88 KB

english, 2000

31

Accurate double many-body expansion potential energy surface for triplet H[sub 3][sup +]. II. The upper adiabatic sheet (2 [sup 3]A[sup ʹ])

Viegas, Luis P., Cernei, Mihail, Alijah, Alexander, Varandas, António J. C.

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 258 KB

english, 2004

32

Symmetry Analysis of the Vibronic States in the Upper Conical Potential (2 3 A‘) of Triplet

Viegas, Luis P., Alijah, Alexander, Varandas, António J. C.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 73 KB

english, 2005

33

Ro-Vibrational States of Triplet H 2 D +†

Alijah, Alexander, Varandas, António J. C.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 70 KB

english, 2006

34

Vibrating H 3+ in a Uniform Magnetic Field

Medel Cobaxin, Héctor, Alijah, Alexander

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 814 KB

english, 2013

35

Faraday communications. High-resolution electronic spectroscopy and predissociation dynamics of SiH + 2 in high-K a states

Hall, David I., Levick, Andrew P., Sarre, Peter J., Whitham, Christopher J., Alijah, Alexander, Duxbury, Geoffrey

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1993

Language:

english

File:

PDF, 256 KB

english, 1993

36

Fast quantum, semiclassical and classical dynamics near the conical intersection

ALIJAH, ALEXANDER, NIKITIN, E. E.

Journal:

Molecular Physics

Year:

1999

Language:

english

File:

PDF, 1010 KB

english, 1999

37

Renner-Teller correlation diagrams for orbital angular momentum in ∏ and △ states of triatomic molecules

DUXBURY, GEOFFREY, MCDONALD, BARRY D., ALIJAH, ALEXANDER

Journal:

Molecular Physics

Year:

1996

Language:

english

File:

PDF, 582 KB

english, 1996

38

Unveiling the Interplay Between Diffusing CO 2 and Ethanol Molecules in Champagne Wines by Classical Molecular Dynamics and 13 C NMR Spectroscopy

Bonhommeau, David A., Perret, Alexandre, Nuzillard, Jean-Marc, Cilindre, Clara, Cours, Thibaud, Alijah, Alexander, Liger-Belair, Gérard

Journal:

The Journal of Physical Chemistry Letters

Year:

2014

Language:

english

File:

PDF, 479 KB

english, 2014

39

Stretch–bender calculations of the effects of orbital angular momentum and vibrational resonances in the spectrum of singlet methylene

Duxbury, Geoffrey, Alijah, Alexander, McDonald, Barry D., Jungen, Christian

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 415 KB

english, 1998

40

Bound Ro-Vibronic States of Triplet

Friedrich, Oliver, Alijah, Alexander, Xu, ZongRong, Varandas, António J. C.

Journal:

Physical Review Letters

Year:

2001

Language:

english

File:

PDF, 94 KB

english, 2001

41

Molecule in an Upright Conical Potential

Alijah, Alexander, Varandas, António J. C.

Journal:

Physical Review Letters

Year:

2004

Language:

english

File:

PDF, 92 KB

english, 2004

42

QED correction for

Lodi, Lorenzo, Polyansky, Oleg L., Tennyson, Jonathan, Alijah, Alexander, Zobov, Nikolai F.

Journal:

Physical Review A

Year:

2014

Language:

english

File:

PDF, 157 KB

english, 2014

43

Renner–Teller and spin–orbit interactions in SiH2

Duxbury, Geoffrey, Alijah, Alexander, Trieling, Reuben R.

Journal:

The Journal of Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.25 MB

english, 1993

44

Zero-order electro-optical effects in photoionization

Alijah, Alexander, Kondratovich, Vladimir D.

Journal:

Physical Review A

Year:

1995

Language:

english

File:

PDF, 216 KB

english, 1995

45

Accurate double many-body expansion potential energy surface for triplet H[sub 3][sup +]. I. The lowest adiabatic sheet (a[sup 3]Σ[sub u][sup +])

Cernei, Mihail, Alijah, Alexander, Varandas, António J. C.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 369 KB

english, 2003

46

Reactive collisions of atoms with diatomic molecules

Wolniewicz, L., Hinze, Juergen, Alijah, Alexander

Journal:

The Journal of Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.09 MB

english, 1993

47

Renner-Teller and spin-orbit interactions between the 1 A 1 , 1 B 1 and 3 B 1 states of CH 2

Alijah, Alexander, Duxbury, Geoffrey

Journal:

Molecular Physics

Year:

1990

Language:

english

File:

PDF, 851 KB

english, 1990

48

H[sub 4][sup +]: What do we know about it?

Alijah, Alexander, Varandas, António J. C.

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 609 KB

english, 2008

49

H 2+ in a weak magnetic field

Cobaxin, Héctor Medel, Alijah, Alexander, Vieyra, Juan Carlos López, Turbiner, Alexander V

Journal:

Journal of Physics B Atomic Molecular and Optical Physics

Year:

2015

Language:

english

File:

PDF, 1.97 MB

english, 2015

50

The Electronic Adiabatic-Diabatic Transformation Matrix: A Theoretical and Numerical Study of a Three-State System

Alijah, Alexander, Baer, Michael

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 116 KB

english, 2000