Concepedia

Author

Pavel Neogrády

Comenius University Bratislava

Also Known As

Neogrády, Pavel, P. Neogrády, PAVEL NEOGRÁDY, Pavel Neogrady, Pavel Neogrády

69

Publications

5.2K

Citations

25

H-Index

64

Concepts

All Affiliations

Comenius University BratislavaCzech Academy of Sciences, Institute of Organic Chemistry and BiochemistrySlovak University of Technology in BratislavaPalacký University OlomoucSlovak Academy of Sciences
PN

About

Pavel Neogrády is an author at Comenius University Bratislava specializing in quantum chemistry, natural sciences, and engineering.

Top Concepts

#ConceptH-IndexPublicationsCitations

1

Engineering

21

34

3.2K

2

Natural Sciences

21

33

1.5K

3

Applied Physics

8

8

468

4

Medicine

1

1

13

5

Biochemistry

1

1

27

Pavel Neogrády

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41

Publications

5.1K

Citations

24

H-Index

YearCitations

MOLCAS: a program package for computational chemistry

Gunnar Karlström, Roland Lindh, Per‐Åke Malmqvist,

Computational Materials Science

2003

1.7K

MOLCAS 7: The Next Generation

Francesco Aquilante, Luca De Vico, Nicolas Ferré,

Journal of Computational Chemistry

2009

1.5K

Scaled MP3 Non‐Covalent Interaction Energies Agree Closely with Accurate CCSD(T) Benchmark Data

Michal Pitoňák, Pavel Neogrády, Jiří Černý,

ChemPhysChem

2008

258

Benzene Dimer: High-Level Wave Function and Density Functional Theory Calculations

Michal Pitoňák, Pavel Neogrády, Jan Řezáč,

Journal of Chemical Theory and Computation

2008

250

Highly Accurate CCSD(T) and DFT–SAPT Stabilization Energies of H‐Bonded and Stacked Structures of the Uracil Dimer

Michal Pitoňák, Kevin E. Riley, Pavel Neogrády,

ChemPhysChem

2008

118

Size-consistent Brillouin-Wigner perturbation theory with an exponentially parametrized wave function: Brillouin-Wigner coupled-cluster theory

Ivan Hubač, Pavel Neogrády

Physical Review A

1994

86

Spin adapted restricted Hartree–Fock reference coupled cluster theory for open shell systems

Pavel Neogrády, Miroslav Urban, Ivan Hubač

The Journal of Chemical Physics

1994

85

Relativistic coupled-cluster static dipole polarizabilities of the alkali metals from Li to element 119

Ivan S. Lim, Markus Pernpointner, Michael Seth,

Physical Review A

1999

82

Spin‐Adapted restricted Hartree–Fock reference coupled‐cluster theory for open‐shell systems: Noniterative triples for noncanonical orbitals

Pavel Neogrády, Miroslav Urban

International Journal of Quantum Chemistry

1995

70

Optimized virtual orbitals for correlated calculations: an alternative approach

Pavel Neogrády, Michal Pitoňák, Miroslav Urban

Molecular Physics

2005

66

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