P Bobadova-Parvanova: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

Don't use scam websites

1

Synthesis and properties of B -cyano-BODIPYs

Nguyen, Alex L., Wang, Maodie, Bobadova-Parvanova, Petia, Do, Quynh, Zhou, Zehua, Fronczek, Frank R., Smith, Kevin M., Vicente, M. Graça H.

Journal:

Journal of Porphyrins and Phthalocyanines

Year:

2016

Language:

english

File:

PDF, 1.14 MB

english, 2016

2

Synthesis, Crystal Structure, and the Deep Near-Infrared Absorption/Emission of Bright AzaBODIPY-Based Organic Fluorophores

Sheng, Wanle, Wu, Yayang, Yu, Changjiang, Bobadova-Parvanova, Petia, Hao, Erhong, Jiao, Lijuan

Journal:

Organic Letters

Year:

2018

Language:

english

File:

PDF, 1.73 MB

english, 2018

3

Molecular Structure of the Nematic Liquid Crystals made by Hydrogen Bonded in Dimers Molecules

P. Bobadova-Parvanova, V. Parvanov, M. Petrov, L. Tsonev

Journal:

Crystal Research and Technology

Year:

2000

Language:

english

File:

PDF, 181 KB

english, 2000

4

How Many Methyl Groups in [{(η5-C5MenH5−n)2Zr}2(μ2,η2,η2-N2)] Are Needed for Dinitrogen Hydrogenation? A Theoretical Study

Petia Bobadova-Parvanova, Qinfang Wang, Keiji Morokuma, Djamaladdin G. Musaev

Journal:

Angewandte Chemie

Year:

2005

Language:

english

File:

PDF, 121 KB

english, 2005

5

How Many Methyl Groups in [{(η5-C5MenH5−n)2Zr}2(μ2,η2,η2-N2)] Are Needed for Dinitrogen Hydrogenation? A Theoretical Study

Petia Bobadova-Parvanova, Qinfang Wang, Keiji Morokuma, Djamaladdin G. Musaev

Journal:

Angewandte Chemie International Edition

Year:

2005

Language:

english

File:

PDF, 122 KB

english, 2005

6

The Electrostatic Potential at Atomic Sites as a Reactivity Index in the Hydrogen Bond Formation

B. Galabov, P. Bobadova-Parvanova, S. Ilieva, V. Dimitrova

Journal:

Year:

2003

File:

PDF, 51 KB

2003

7

Dissociative photoionization of ClN3 using high-resolution synchrotron radiation: The N–Cl bond energy in ClN3

Alfredo Quinto-Hernandez, Yin-Yu Lee, Tzu-Ping Huang, Wan-Chen Pan, Jim Jr-Min Lin, Petia Bobadova-Parvanova, Keiji Morokuma, Petros C. Samartzis, Alec M. Wodtke

Journal:

International Journal of Mass Spectrometry

Year:

2007

Language:

english

File:

PDF, 408 KB

english, 2007

8

Molecular electrostatic potential as reactivity index in hydrogen bond formation: an HF/6-31+G(d) study of hydrogen-bonded (HCN)n clusters, n=2,3,4,5,6,7

B Galabov, P Bobadova-Parvanova

Journal:

Journal of Molecular Structure

Year:

2000

Language:

english

File:

PDF, 273 KB

english, 2000

9

Interpretation of carbonyl stretching band intensities in the infrared spectra: an ab initio MO study

Boris Galabov, Petia Bobadova-Parvanova, Todor Dudev

Journal:

Journal of Molecular Structure

Year:

1997

Language:

english

File:

PDF, 183 KB

english, 1997

10

Molecular geometry, vibrational frequencies, infrared intensities and CN effective bond charges in a series of simple nitrile compounds: HF/6–31+G(d,p) molecular orbital study

Todor Dudev, Petia Bobadova-Parvanova, Daniela Pencheva, Boris Galabov

Journal:

Journal of Molecular Structure

Year:

1997

Language:

english

File:

PDF, 531 KB

english, 1997

11

The electrostatic potential at atomic sites as a reactivity index in the hydrogen bond formation

B Galabov, P Bobadova-Parvanova, S Ilieva, V Dimitrova

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 283 KB

english, 2003

12

Synthesis, Computational Modeling, and Properties of Benzo-Appended BODIPYs

Timsy Uppal, Dr. Xiaoke Hu, Dr. Frank R. Fronczek, Stephanie Maschek, Prof. Petia Bobadova-Parvanova, Prof. M. Graça H. Vicente

Journal:

Chemistry - A European Journal

Year:

2012

Language:

english

File:

PDF, 2.20 MB

english, 2012

13

Parameter Calibration of Transition-Metal Elements for the Spin-Polarized Self-Consistent-Charge Density-Functional Tight-Binding (DFTB) Method: Sc, Ti, Fe, Co, and Ni

Zheng, Guishan, Witek, Henryk A., Bobadova-Parvanova, Petia, Irle, Stephan, Musaev, Djamaladdin G., Prabhakar, Rajeev, Morokuma, Keiji, Lundberg, Marcus, Elstner, Marcus, Köhler, Christof, Frauenheim,

Journal:

Journal of Chemical Theory and Computation

Year:

2007

Language:

english

File:

PDF, 527 KB

english, 2007

14

Spectroscopic, computational modeling and cytotoxicity of a series of meso-phenyl and meso-thienyl-BODIPYs

Gibbs, Jaime H., Robins, Larry T., Zhou, Zehua, Bobadova-Parvanova, Petia, Cottam, Michael, McCandless, Gregory T., Fronczek, Frank R., Vicente, M. Graça H.

Journal:

Bioorganic & Medicinal Chemistry

Year:

2013

Language:

english

File:

PDF, 1.13 MB

english, 2013

15

Why [(η 5 -C 5 Me n H 5- n ) 2 Ti] 2 (μ 2 ,η 2 ,η 2 -N 2 ) Can Not Add a H 2 Molecule to the Side-On-Coordinated N 2 while Its Zr and Hf Analogues Can? Insights from Computational Studies

Musaev, Djamaladdin G., Bobadova-Parvanova, Petia, Morokuma, Keiji

Journal:

Inorganic Chemistry

Year:

2007

Language:

english

File:

PDF, 232 KB

english, 2007

16

Molecular Electrostatic Potential as Reactivity Index in Hydrogen Bonding: Ab Initio Molecular Orbital Study of Complexes of Nitrile and Carbonyl Compounds with Hydrogen Fluoride †

Galabov, Boris, Bobadova-Parvanova, Petia

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 100 KB

english, 1999

17

Does Dinitrogen Hydrogenation Follow Different Mechanisms for [(η 5 -C 5 Me 4 H) 2 Zr] 2 (μ 2 ,η 2 ,η 2 -N 2 ) and {[PhP(CH 2 SiMe 2 NSiMe 2 CH 2 )PPh]Zr} 2 (μ 2

Bobadova-Parvanova, Petia, Wang, Qingfang, Quinonero-Santiago, David, Morokuma, Keiji, Musaev, Djamaladdin G.

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 667 KB

english, 2006

18

Ab Initio Molecular-Orbital Study of Hydrogen-Bonded Complexes of Carbonyl Aliphatic Compounds and Hydrogen Fluoride

Bobadova-Parvanova, Petia, Galabov, Boris

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 57 KB

english, 1998

19

Theoretical Study of the Structure and Properties of [(η 5 -C 5 Me 4 H) 2 Zr] 2 (μ 2 ,η 2 ,η 2 -N 2 )

Bobadova-Parvanova, Petia, Quinonero-Santiago, David, Morokuma, Keiji, Musaev, Djamaladdin G.

Journal:

Journal of Chemical Theory and Computation

Year:

2006

Language:

english

File:

PDF, 203 KB

english, 2006

20

Structure, bonding, and magnetism in manganese clusters

Bobadova-Parvanova, P., Jackson, K. A., Srinivas, S., Horoi, M.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 452 KB

english, 2005

21

clusters

Bobadova-Parvanova, P., Jackson, K. A., Srinivas, S., Horoi, M.

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 351 KB

english, 2002

22

Emergence of antiferromagnetic ordering in Mn clusters

Bobadova-Parvanova, P., Jackson, K. A., Srinivas, S., Horoi, M.

Journal:

Physical Review A

Year:

2003

Language:

english

File:

PDF, 61 KB

english, 2003

23

Ab initio and 1 H NMR study of the Zn(II) complexes of a nido - and a closo -carboranylporphyrin

Bobadova-Parvanova, Petia, Oku, Yuko, Wickramasinghe, Anura, Hall, Randall W., Vicente, M. Graça H.

Journal:

Journal of Porphyrins and Phthalocyanines

Year:

2004

Language:

english

File:

PDF, 841 KB

english, 2004

24

Synthesis and Reactivity of 4,4-Dialkoxy-BODIPYs: An Experimental and Computational Study

Nguyen, Alex L., Bobadova-Parvanova, Petia, Hopfinger, Melissa, Fronczek, Frank R., Smith, Kevin M., Vicente, M. Graça H.

Journal:

Inorganic Chemistry

Year:

2015

Language:

english

File:

PDF, 1.38 MB

english, 2015

25

Scanning the potential energy surface of iron clusters: A novel search strategy

Bobadova-Parvanova, P., Jackson, K. A., Srinivas, S., Horoi, M., Köhler, C., Seifert, G.

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 1.18 MB

english, 2002

26

The heat of formation of chlorine-isocyanate and the relative stability of isoelectronic molecules: An experimental and theoretical study

Ji, Yuanyuan, Bobadova-Parvanova, Petia, Larson, Chris, Samartzis, Peter C., Morokuma, Keiji, Lin, Jim Jr-Min, Ching, Tao-Tsung, Chaudhuri, Chanchal, Lee, Shih-Huang, Wodtke, Alec M.

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 575 KB

english, 2006

27

Synthesis and electropolymerization of a series of 2,2′-(ortho-carboranyl)bisthiophenes

Zhao, Ning, Fabre, Bruno, Bobadova-Parvanova, Petia, Fronczek, Frank R., Vicente, M. Graça H.

Journal:

Journal of Organometallic Chemistry

Year:

2017

Language:

english

File:

PDF, 1.89 MB

english, 2017

28

Synthesis, Structure and Properties of Near-Infrared [b]-Phenanthrene-Fused BF2 Aza-dipyrromethenes

Cui, Jiuen, Sheng, Wanle, Wu, Qinghua, Yu, Changjiang, Hao, Erhong, Bobadova-Parvanova, Petia, Storer, Marie, Asiri, Abdullah M., Marwani, Hadi M., Jiao, Lijuan

Journal:

Chemistry – An Asian Journal

Year:

2017

Language:

english

File:

PDF, 1.22 MB

english, 2017

29

Stability of a Series of BODIPYs in Acidic Conditions: An Experimental and Computational Study into the Role of the Substituents at Boron

Wang, Maodie, Vicente, M. Graça H., Mason, Deanna, Bobadova-Parvanova, Petia

Journal:

Year:

2018

Language:

english

File:

PDF, 662 KB

english, 2018

30

Syntheses, Spectroscopic Properties, and Computational Study of E/Z-Ethenyl and Ethynyl-Linked BODIPYs

Zhang, Guanyu, Zhao, Ning, Bobadova-Parvanova, Petia, Wang, Maodie, Fronczek, Frank R, Smith, Kevin Malcolm, Vicente, M. Graça Henriques

Journal:

Journal of Physical Chemistry A

Year:

2018

Language:

english

File:

PDF, 1.46 MB

english, 2018

31

Linker-Free Near-IR Aza-BODIPY-Glutamine Conjugates through Boron Functionalization

Wang, Maodie, Zhang, Guanyu, Kaufman, Nichole, Bobadova-Parvanova, Petia, Fronczek, Frank, Smith, Kevin, Vicente, Maria da Graca Henriques

Journal:

European Journal of Organic Chemistry

Year:

2020

Language:

english

File:

PDF, 2.37 MB

english, 2020