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1

Large Scale Quantum Mechanical Calculations on the Benzene Vibrational System

Svetoslav Rashev

Journal:

Year:

2005

File:

PDF, 8 KB

2005

2

Calculations on the vibrational level density in highly excited formaldehyde

Svetoslav Rashev, David C. Moule

Journal:

Chemical Physics

Year:

2003

Language:

english

File:

PDF, 230 KB

english, 2003

3

Large scale vibrational Hamiltonian calculations on thiophosgene

Svetoslav Rashev, Isak Bivas, David C. Moule

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 182 KB

english, 2007

4

On the T1 → S0 intersystem crossing rate constant in thiophosgene

Svetoslav Rashev, David C. Moule, Svetlana T. Djambova

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 164 KB

english, 2007

5

Hamiltonian description and 6D calculations on the ammonia vibrational levels

Svetoslav Rashev, David C. Moule

Journal:

Journal of Molecular Spectroscopy

Year:

2006

Language:

english

File:

PDF, 229 KB

english, 2006

6

Complex symmeterized analysis of benzene vibrations

Svetoslav Rashev

Journal:

International Journal of Quantum Chemistry

Year:

2002

Language:

english

File:

PDF, 105 KB

english, 2002

7

Determination of an improved set of harmonic force constants for benzene

Svetoslav Rashev

Journal:

International Journal of Quantum Chemistry

Year:

2004

Language:

english

File:

PDF, 118 KB

english, 2004

8

The role of rotational relaxation in the intersystem crossing between a triplet and a singlet electronic state

Svetoslav Rashev, David C. Moule, Richard H. Judge

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 151 KB

english, 2011

9

Complex symmetrized calculations on ammonia vibrational levels

Svetoslav Rashev, Lyubo Tsonev, Dimo Z. Zhechev

Journal:

Central European Journal of Chemistry

Year:

2005

Language:

english

File:

PDF, 239 KB

english, 2005

10

Vibrational calculations in formaldehyde: the CH stretch system

Svetoslav Rashev, David C. Moule

Journal:

Central European Journal of Chemistry

Year:

2011

Language:

english

File:

PDF, 477 KB

english, 2011

11

Variational study on the vibrational level structure and IVR behavior of highly vibrationally excited S0 formaldehyde

Svetoslav Rashev, David C. Moule

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2012

Language:

english

File:

PDF, 329 KB

english, 2012

12

Variational study on the vibrational level structure and vibrational level mixing of highly vibrationally excited S0 D2CO

Svetoslav Rashev, David C. Moule, Vladimir Rashev

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2012

Language:

english

File:

PDF, 422 KB

english, 2012

13

Variational calculations on the vibrational level structure of S0HDCO

Svetoslav Rashev, David C. Moule

Journal:

Central European Journal of Chemistry

Year:

2013

Language:

english

File:

PDF, 490 KB

english, 2013

14

Large scale variational calculations on the vibrational level structure and vibrational mixing in S0 HDCO up to very high excitation energies

Rashev, Svetoslav, Moule, David C.

Journal:

Journal of Molecular Spectroscopy

Year:

2013

Language:

english

File:

PDF, 422 KB

english, 2013

15

Empirical Determination of the Harmonic Force Constants in Benzene. 3. The Harmonic Frequencies

Rashev, Svetoslav, Moule, David C.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 95 KB

english, 2004

16

Empirical Determination of the Harmonic Force Constants in Benzene. 2. The C−H Stretch System

Rashev, Svetoslav

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 121 KB

english, 2003

17

Empirical Determination of the Harmonic Force Constants in Benzene. 4. The Fermi Resonances

Rashev, Svetoslav, Moule, David C., Djambova, Svetlana T.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 66 KB

english, 2006

18

A refined quartic potential energy surface and large scale vibrational calculations for S0 thiophosgene

Rashev, Svetoslav, Moule, David C.

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2015

Language:

english

File:

PDF, 372 KB

english, 2015

19

Rotational level involvement in the T[sub 1]→S[sub 0] intersystem crossing transition in thiophosgene

Rashev, Svetoslav, Moule, David C.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 534 KB

english, 2009

20

A combined theoretical treatment of T[sub 1]→S[sub 0] intersystem crossing and intramolecular vibrational redistribution in thiophosgene

Rashev, Svetoslav, Moule, David C.

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 88 KB

english, 2008

21

Large scale vibrational calculations on IVR in S 0 thiophosgene

Rashev, Svetoslav, Moule, David C.

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2016

Language:

english

File:

PDF, 677 KB

english, 2016

22

Theoretical study on the vibrational structure of S0 thiophosgene from the origin to dissociation

Rashev, Svetoslav, Moule, David C.

Journal:

Vibrational Spectroscopy

Year:

2016

Language:

english

File:

PDF, 1.02 MB

english, 2016

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