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Garold Murdachaew
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Accurate ab initio potential for argon dimer including highly repulsive region
K Patkowski, G Murdachaew, CM Fou, K Szalewicz*
Molecular Physics 103 (15-16), 2031-2045, 2005
1322005
Computational studies of atmospherically-relevant chemical reactions in water clusters and on liquid water and ice surfaces
RB Gerber, ME Varner, AD Hammerich, S Riikonen, G Murdachaew, ...
Accounts of Chemical Research 48 (2), 399-406, 2015
792015
Oxygen evolution reaction on nitrogen-doped defective carbon nanotubes and graphene
G Murdachaew, K Laasonen
The Journal of Physical Chemistry C 122 (45), 25882-25892, 2018
562018
Intermolecular potential energy surface and spectra of He–HCl with generalization to other rare gas–hydrogen halide complexes
G Murdachaew, K Szalewicz, H Jiang, Z Bačić
The Journal of chemical physics 121 (23), 11839-11855, 2004
532004
Intermolecular potential energy surfaces and spectra of Ne–HCN complex from ab initio calculations
G Murdachaew, AJ Misquitta, R Bukowski, K Szalewicz
The Journal of Chemical Physics 114 (2), 764-779, 2001
522001
Ab initio water pair potential with flexible monomers
P Jankowski, G Murdachaew, R Bukowski, O Akin-Ojo, C Leforestier, ...
The Journal of Physical Chemistry A 119 (12), 2940-2964, 2015
462015
Nitrogen dioxide at the air–water interface: trapping, absorption, and solvation in the bulk and at the surface
G Murdachaew, ME Varner, LF Phillips, BJ Finlayson-Pitts, RB Gerber
Physical Chemistry Chemical Physics 15 (1), 204-212, 2013
412013
Semiempirical Self-Consistent Polarization Description of Bulk Water, the Liquid− Vapor Interface, and Cubic Ice
G Murdachaew, CJ Mundy, GK Schenter, T Laino, J Hutter
The Journal of Physical Chemistry A 115 (23), 6046-6053, 2011
342011
Improving the density functional theory description of water with self-consistent polarization
G Murdachaew, CJ Mundy, GK Schenter
The Journal of chemical physics 132 (16), 164102, 2010
342010
Study of ion specific interactions of alkali cations with dicarboxylate dianions
G Murdachaew, M Valiev, SM Kathmann, XB Wang
The Journal of Physical Chemistry A 116 (9), 2055-2061, 2012
302012
Spectra of water dimer from ab initio calculations
K Szalewicz, G Murdachaew, R Bukowski, O Akin-Ojo, C Leforestier
Lecture Series on Computer and Computational Science: Internationalá…, 2006
272006
Deprotonation of formic acid in collisions with a liquid water surface studied by molecular dynamics and metadynamics simulations
G Murdachaew, GM Nathanson, RB Gerber, L Halonen
Physical Chemistry Chemical Physics 18 (43), 29756-29770, 2016
262016
Toward an accurate and efficient theory of physisorption. I. Development of an augmented density-functional theory model
G Murdachaew, S de Gironcoli, G Scoles
The Journal of Physical Chemistry A 112 (40), 9993-10005, 2008
262008
Self-consistent polarization density functional theory: Application to argon
KA Maerzke, G Murdachaew, CJ Mundy, GK Schenter, JI Siepmann
The Journal of Physical Chemistry A 113 (10), 2075-2085, 2009
252009
Oxygen evolution reaction kinetic barriers on nitrogen-doped carbon nanotubes
L Partanen, G Murdachaew, K Laasonen
The Journal of Physical Chemistry C 122 (24), 12892-12899, 2018
242018
Dissociation of HCl into ions on wet hydroxylated (0001) α-quartz
G Murdachaew, MP Gaigeot, L Halonen, RB Gerber
The Journal of Physical Chemistry Letters 4 (20), 3500-3507, 2013
202013
and in small helium clusters: Quantum solvation of hydrogen-bonded dimers
H Jiang, A Sarsa, G Murdachaew, K Szalewicz, Z Bačić
The Journal of chemical physics 123 (22), 224313, 2005
202005
Intermolecular potentials with flexible monomers
G Murdachaew, K Szalewicz
Faraday Discussions 118, 121-142, 2001
192001
Efficient generation of flexible-monomer intermolecular potential energy surfaces
G Murdachaew, K Szalewicz, R Bukowski
Physical review letters 88 (12), 123202, 2002
182002
Lecture Series on Computer and Computational Science: ICCMSE 2006
K Szalewicz, G Murdachaew, R Bukowski, O Akin-Ojo, C Leforestier
Brill Academic 6, 482-491, 2006
172006
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