E-LIB Suche - Ergebnisse für: Kříž, Kristian

1

Impact of Combination Rules, Level of Theory, and Potential..:

Kříž, Kristian ; van Maaren, Paul J. ; van der Spoel, David
Journal of Chemical Theory and Computation. 20 (2024) 6 - p. 2362-2376 , 2024

Link: https://doi.org/10.1021/..

2

Strategies for the Design of PEDOT Analogues Unraveled: the..:

Farka, Dominik ; Kříž, Kristian ; Fanfrlík, Jindřich
The Journal of Physical Chemistry A. 127 (2023) 17 - p. 3779-3787 , 2023

Link: https://doi.org/10.1021/..

3

An Imbalance in the Force: The Need for Standardized Benchm..:

Kříž, Kristian ; Schmidt, Lisa ; Andersson, Alfred T...
Journal of Chemical Information and Modeling. 63 (2023) 2 - p. 412-431 , 2023

Link: https://doi.org/10.1021/..

4

Non-covalent interactions atlas benchmark data sets 4: σ-ho..:

Kříž, Kristian ; Řezáč, Jan
Physical Chemistry Chemical Physics. 24 (2022) 24 - p. 14794-14804 , 2022

Link: https://doi.org/10.1039/..

5

Non-Covalent Interactions Atlas Benchmark Data Sets 3: Repu..:

Kříž, Kristian ; Nováček, Martin ; Řezáč, Jan
Journal of Chemical Theory and Computation. 17 (2021) 3 - p. 1548-1561 , 2021

Link: https://doi.org/10.1021/..

6

Benchmarking of Semiempirical Quantum-Mechanical Methods on..:

Kříž, Kristian ; Řezáč, Jan
Journal of Chemical Information and Modeling. 60 (2020) 3 - p. 1453-1460 , 2020

Link: https://doi.org/10.1021/..

7

Reparametrization of the COSMO Solvent Model for Semiempiri..:

Kříž, Kristian ; Řezáč, Jan
Journal of Chemical Information and Modeling. 59 (2019) 1 - p. 229-235 , 2019

Link: https://doi.org/10.1021/..

8

Chalcogen Bonding in Protein−Ligand Complexes: PDB Survey a..:

Kříž, Kristian ; Fanfrlík, Jindřich ; Lepšík, Martin
ChemPhysChem. 19 (2018) 19 - p. 2540-2548 , 2018

Link: https://doi.org/10.1002/..

9

An Imbalance in the Force: The Need for Standardized Benchm..:

Kříž, Kristian ; Schmidt, Lisa ; Andersson, Alfred T..
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9875315/. , 2023

Link: http://www.ncbi.nlm.nih...

10

Strategies for the Design of PEDOT Analogues Unraveled: the..:

Farka, Dominik ; Kříž, Kristian ; Fanfrlík, Jindřich
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10165655/. , 2023

Link: http://www.ncbi.nlm.nih...

11

Optimization of Semiempirical Quantum Mechanical Methods fo..:

Kříž, Kristian
http://hdl.handle.net/20.500.11956/125520. , 2021

Link: https://hdl.handle.net/2..

12

Nonclassical noncovalent interactions in proteins and their..:

Kříž, Kristian
http://hdl.handle.net/20.500.11956/81738. , 2016

Link: https://hdl.handle.net/2..

13

Využití virových nanočástic pro biomedicínské účely ; The a..:

Kříž, Kristian
http://hdl.handle.net/20.500.11956/65292. , 2014

Link: https://hdl.handle.net/2..

14

An Imbalance in the Force: The Need for Standardized Benchm..:

Kristian Kříž (6175100) ; Lisa Schmidt (8807669) ; Alfred T. Andersson (8752422)..
https://figshare.com/articles/journal_contribution/An_Imbalance_in_the_Force_The_Need_for_Standardized_Benchmarks_for_Molecular_Simulation/21871324. , 2023

Link: https://doi.org/10.1021/..

15

Non-Covalent Interactions Atlas Benchmark Data Sets 3: Repu..:

Kristian Kříž (6175100) ; Martin Nováček (10182752) ; Jan Řezáč (1279317)
https://figshare.com/articles/dataset/Non-Covalent_Interactions_Atlas_Benchmark_Data_Sets_3_Repulsive_Contacts/14096300. , 2021

Link: https://doi.org/10.1021/..