books search
books
articles search
articles
Donate
Log In
Log In
to access more features
personal recommendations
Telegram Bot
download history
send to Email or Kindle
manage booklists
save to favorites
Personal
Book Requests
Explore
Journals
Contribution
Donate
Litera Library
Donate paper books
Add paper books
Open LITERA Point
Volume 138; Issue 6
Main
Theoretica Chimica Acta
Volume 138; Issue 6
Theoretica Chimica Acta
Volume 138; Issue 6
1
Microsolvation of lithium–phosphorus double helix: a DFT study
Jana, Gourhari
,
Jha, Ruchi
,
Pan, Sudip
,
Chattaraj, Pratim Kumar
Journal:
Theoretica Chimica Acta
Year:
2019
Language:
english
File:
PDF, 1.01 MB
Your tags:
english, 2019
2
New insights into Fe–H $$_{2}$$ 2 and Fe–H $$^{-}$$ - bonding of a [NiFe] hydrogenase mimic: a local vibrational mode study
Makoś, Małgorzata Z.
,
Freindorf, Marek
,
Sethio, Daniel
,
Kraka, Elfi
Journal:
Theoretica Chimica Acta
Year:
2019
Language:
english
File:
PDF, 2.42 MB
Your tags:
english, 2019
3
The density response kernel, the Fukui function, and other response functions from the Kohn–Sham orbitals
Cedillo, Andrés
Journal:
Theoretica Chimica Acta
Year:
2019
Language:
english
File:
PDF, 941 KB
Your tags:
english, 2019
4
Computational prediction of bioactivity scores and chemical reactivity properties of the Parasin I therapeutic peptide of marine origin through the calculation of global and local conceptual DFT descriptors
Flores-Holguín, Norma
,
Frau, Juan
,
Glossman-Mitnik, Daniel
Journal:
Theoretica Chimica Acta
Year:
2019
Language:
english
File:
PDF, 926 KB
Your tags:
english, 2019
5
A theoretical research on intersystem crossing, radiative and nonradiative rates of cyclometalated platinum(II) complexes
Yang, Baozhu
,
Huang, Shuang
,
Luo, Shiping
Journal:
Theoretica Chimica Acta
Year:
2019
Language:
english
File:
PDF, 1.41 MB
Your tags:
english, 2019
6
A partition function for atoms and bonds in molecules
Awad, Ibrahim E.
,
Poirier, Raymond A.
Journal:
Theoretica Chimica Acta
Year:
2019
Language:
english
File:
PDF, 8.23 MB
Your tags:
english, 2019
7
Prediction of aqueous solubility by treatment of COSMO-RS data with empirical solubility equations: the roles of global orbital cut-off and COSMO solvent radius
Wahab, Olaide O.
,
Olasunkanmi, Lukman O.
,
Govender, Krishna K.
,
Govender, Penny P.
Journal:
Theoretica Chimica Acta
Year:
2019
Language:
english
File:
PDF, 958 KB
Your tags:
english, 2019
8
Ab initio investigation of cationic water cluster (H2O) 13 + via particle swarm optimization algorithm
Wen, Yi-Ming
,
Zhang, Shuai-Kang
,
Hu, Cui-E
,
Cheng, Yan
Journal:
Theoretica Chimica Acta
Year:
2019
Language:
english
File:
PDF, 2.51 MB
Your tags:
english, 2019
9
Unexpected molecular mechanism of trimethylsilyl bromide elimination from 2-(trimethylsilyloxy)-3-bromo-3-methyl-isoxazolidines
Kącka-Zych, Agnieszka
,
Jasiński, Radomir
Journal:
Theoretica Chimica Acta
Year:
2019
Language:
english
File:
PDF, 1.21 MB
Your tags:
english, 2019
10
Microsolvation of lithium–phosphorus double helix: a DFT study
Jana, Gourhari
,
Jha, Ruchi
,
Pan, Sudip
,
Chattaraj, Pratim Kumar
Journal:
Theoretica Chimica Acta
Year:
2019
File:
PDF, 1.01 MB
Your tags:
2019
11
New insights into Fe–H $$_{2}$$ 2 and Fe–H $$^{-}$$ - bonding of a [NiFe] hydrogenase mimic: a local vibrational mode study
Makoś, Małgorzata Z.
,
Freindorf, Marek
,
Sethio, Daniel
,
Kraka, Elfi
Journal:
Theoretica Chimica Acta
Year:
2019
File:
PDF, 2.42 MB
Your tags:
2019
1
Follow
this link
or find "@BotFather" bot on Telegram
2
Send /newbot command
3
Specify a name for your chatbot
4
Choose a username for the bot
5
Copy an entire last message from BotFather and paste it here
×
×
