Pomogaeva, Anna V: search on Z-Library

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

Don't use scam websites

1

Hydration Energy from a Composite Method for Implicit Representation of Solvent

Pomogaeva, Anna, Chipman, Daniel M.

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 1.01 MB

english, 2014

2

Modeling short-range contributions to hydration energies with minimal parameterization

Anna Pomogaeva, Daniel W. Thompson, Daniel M. Chipman

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 307 KB

english, 2011

3

Elongation method for calculating excited states of aromatic molecules embedded in polymers

Vladimir Pomogaev, Feng Long Gu, Anna Pomogaeva, Yuriko Aoki

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 328 KB

english, 2009

4

Electronic structures and nonlinear optical properties of supramolecular associations of benzo-2,1,3-chalcogendiazoles by the elongation method

Anna Pomogaeva, Feng Long Gu, Akira Imamura, Yuriko Aoki

Journal:

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

Year:

2010

Language:

english

File:

PDF, 648 KB

english, 2010

5

Theoretical study on nonlinear optical properties of metalloporphyrin using elongation method

Li Kai Yan, Anna Pomogaeva, Feng Long Gu, Yuriko Aoki

Journal:

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

Year:

2010

Language:

english

File:

PDF, 918 KB

english, 2010

6

Thermo-dynamical contours of electronic-vibrational spectra simulated using the statistical quantum–mechanical methods

Vladimir Pomogaev, Anna Pomogaeva, Pavel Avramov, K. J. Jalkanen, Sergey Kachin

Journal:

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

Year:

2011

Language:

english

File:

PDF, 796 KB

english, 2011

7

Absorption Spectra of Estradiol and Tryptophan Constructed by the Statistical and Elongation Methods

Pomogaev, Vladimir, Pomogaeva, Anna, Aoki, Yuriko

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 190 KB

english, 2009

8

Field-Extremum Model for Short-Range Contributions to Hydration Free Energy

Pomogaeva, Anna, Chipman, Daniel M.

Journal:

Journal of Chemical Theory and Computation

Year:

2011

Language:

english

File:

PDF, 1.45 MB

english, 2011

9

New Implicit Solvation Models for Dispersion and Exchange Energies

Pomogaeva, Anna, Chipman, Daniel M.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 575 KB

english, 2013

10

Band structure built from oligomer calculations

Pomogaeva, Anna, Kirtman, Bernard, Gu, Feng Long, Aoki, Yoriko

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 413 KB

english, 2008

11

Band structures built by the elongation method

Pomogaeva, Anna, Springborg, Michael, Kirtman, Bernard, Gu, Feng Long, Aoki, Yuriko

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 994 KB

english, 2009

12

Electronic properties of mixed metal rod-like group 13 nitride oligomers [RMNH]10and [R3(RMNH)9H3] (M

Anna V. Pomogaeva,Alexey Y. Timoshkin

Journal:

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

Year:

2014

Language:

english

File:

PDF, 727 KB

english, 2014

13

Hydrogen Atom in Water from Ambient to High Temperatures

Pomogaeva, Anna, Chipman, Daniel M.

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 1.51 MB

english, 2013

14

Composite Method for Implicit Representation of Solvent in Dimethyl Sulfoxide and Acetonitrile

Pomogaeva, Anna, Chipman, Daniel M.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 283 KB

english, 2015

15

Strong Dependence of Structural and Electronic Properties of Rod-Shaped [RGaNH] 3 n (R = H, CH 3 ) Oligomers on Terminal Groups

Pomogaeva, Anna V., Timoshkin, Alexey Y.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 3.02 MB

english, 2015

16

Mechanisms of Hydrogen Generation from Tetrameric Clusters of Lithium Amidoborane

Pomogaeva, Anna V., Morokuma, Keiji, Timoshkin, Alexey Y.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 2.74 MB

english, 2015

17

The role of terminal substituents on the electronic properties of rod-shaped [HGaNH]n oligomers

Pomogaeva, Anna Vladimirovna, Timoshkin, Alexey Y

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.84 MB

english, 2016

18

Trimeric cluster of lithium amidoborane-the smallest unit for the modeling of hydrogen release mechanism

Pomogaeva, Anna V., Morokuma, Keiji, Timoshkin, Alexey Y.

Journal:

Journal of Computational Chemistry

Year:

2016

Language:

english

File:

PDF, 507 KB

english, 2016

19

Initial Steps for the Thermal Decomposition of Аlkaline-Earth Metal Amidoboranes: Cluster Approximation.

Pomogaeva, Anna Vladimirovna, Timoshkin, Alexey Y

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.60 MB

english, 2016

20

[AIP COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Theory and Computation: Old Problems and New Challenges. Lectures Presented at the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007): VOLUME 1 - ()] AIP Conference Proceedings - Band Structure of Polymer Extracted from Oligomer Calculations

Pomogaeva, Anna, Gu, Feng Long, Kirtman, Bernard, Aoki, Yuriko, Simos, Theodore E., Maroulis, George

Year:

2007

Language:

english

File:

PDF, 429 KB

english, 2007

21

AIP Conference Proceedings [AIP INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2009: (ICCMSE 2009) - Rhodes, Greece (29 September–4 October 2009)] - Band structure of polymer extracted from oligomer calculations by elongation method and its applications to nanosystems

Pomogaeva, Anna, Springborg, Michael, Kirtman, Bernard, Gu, Feng Long, Aoki, Yuriko

Year:

2012

Language:

english

File:

PDF, 312 KB

english, 2012

22

Why do B-P and Al-P polymers differ? Structures, stability and electronic properties of chain and ring [H2PEH2]n oligomers (E = B, Al; n = 1-15)

Pomogaeva, Anna V, Scheer, Manfred, Timoshkin, Alexey Y

Journal:

Chemistry - A European Journal

Year:

2018

Language:

english

File:

PDF, 1.93 MB

english, 2018

23

Crystal Structures of Antimony(III) Chloride complexes with Pyridine

Davydova, Elena I., Virovets, Alexander, Peresypkina, Eugenia, Pomogaeva, Anna V., Timoshkin, Alexey Y.

Journal:

Year:

2018

Language:

english

File:

PDF, 1.55 MB

english, 2018

24

Front Cover: Thermal Decomposition of Donor-Stabilized Phosphinoborane PH 2 BH 2 NMe 3 : A Tensimetry Study (Eur. J. Inorg. Chem. 35/2019)

Butlak, Alina V., Kazakov, Igor V., Stauber, Andreas, Hegen, Oliver, Scheer, Manfred, Pomogaeva, Anna V., Timoshkin, Alexey Y.

Journal:

European Journal of Inorganic Chemistry

Year:

2019

File:

PDF, 1.52 MB

2019

25

Front Cover: Thermal Decomposition of Donor-Stabilized Phosphinoborane PH 2 BH 2 NMe 3 : A Tensimetry Study (Eur. J. Inorg. Chem. 35/2019)

Butlak, Alina V., Kazakov, Igor V., Stauber, Andreas, Hegen, Oliver, Scheer, Manfred, Pomogaeva, Anna V., Timoshkin, Alexey Y.

Journal:

European Journal of Inorganic Chemistry

Year:

2019

File:

PDF, 1.52 MB

2019

26

Structures and Stability of Complexes of E(C 6 F 5 ) 3 (E = B, Al, Ga, In) with Acetonitrile

Shcherbina, Nadezhda A., Pomogaeva, Anna V., Lisovenko, Anna S., Kazakov, Igor V., Gugin, Nikita Yu., Khoroshilova, Olesya V., Kondrat'ev, Yuri V., Timoshkin, Alexey Y.

Journal:

Zeitschrift für anorganische und allgemeine Chemie

Year:

2020

File:

PDF, 1.48 MB

2020

27

Structures and Chemical Bonding in Antimony(III) Bromide complexes with Pyridine

Prokudina, Yana V., Davydova, Elena I., Virovets, Alexander, StÃ¶ger, Berthold, Peresypkina, Eugenia, Pomogaeva, Anna V., Timoshkin, Alexey Y

Journal:

Chemistry (Weinheim an der Bergstrasse, Germany)

Year:

2020

File:

PDF, 1.93 MB

2020

28

AIP Conference Proceedings [AIP INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2009: (ICCMSE 2009) - Rhodes, Greece (29 Septemberâ4 October 2009)] - Efficient algorithm for computing orbital energies within elongation method

Loboda, Oleksandr, Gu, Feng Long, Pomogaeva, Anna V., Makowski, Marcin, Aoki, Yuriko

Year:

2012

File:

PDF, 544 KB

2012