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Ethene Protonation Over Silica-Grafted Metal (Cr, Mo, and W) Oxide Catalysts: A Comparative Nanocluster Modeling Study

Russian journal of inorganic chemistry, 2018-12, Vol.63 (12), p.1570-1577

2018

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Carbenes with Reduced Heteroatom Stabilization: A Computational Approach

Journal of organic chemistry, 2010-04, Vol.75 (8), p.2539-2545

2010

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A DFT study on pyridine-derived N-heterocyclic carbenes

Tetrahedron, 2009-11, Vol.65 (48), p.10093-10098

2009

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From acyclic dialkylcarbene to the unsaturated cyclic heteroatom substituted ones: a survey of stability

Journal of physical organic chemistry, 2011-05, Vol.24 (5), p.351-359

2011

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Reactive adsorption desulfurization of model FCC gasoline on Ni-based adsorbents: Effect of active phase dispersion on activity and HDS/HYD selectivity

Applied catalysis. B, Environmental, 2023-11, Vol.337, p.122946, Article 122946

2023

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In search of triplet ground state GeCNX germylenes (X = H, F, Cl, and Br): An ab initio and DFT study

Journal of organometallic chemistry, 2005-11, Vol.690 (21), p.4692-4703

2005

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A quest for triplet silylenes XHSi3 at ab initio and DFT levels (X=H, F, Cl and Br)

Journal of organometallic chemistry, 2006-04, Vol.691 (9), p.1845-1856

2006

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Effects of α-mono heteroatoms (N vs. P), and β-conjugation on cyclic silylenes

Computational and theoretical chemistry, 2012-12, Vol.1001, p.39-43

2012

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Novel α-spirocyclic (alkyl)(amino)carbenes at the theoretical crossroad of flexibility and rigidity

Structural chemistry, 2010-06, Vol.21 (3), p.593-598

2010

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A theoretical investigation into dimethylcarbene and its diamino and diphosphino analogs: effects of cyclization and unsaturation on the stability and multiplicity

Journal of physical organic chemistry, 2009-10, Vol.22 (10), p.919-924

2009

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Reaching for cyclacenes and short nanotubes through Si substitutions as studied by DFT calculations

Monatshefte für Chemie, 2013-12, Vol.144 (12), p.1783-1786

2013

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Novel silicon nanorings: Persilacyclacenes at DFT

International journal of quantum chemistry, 2008, Vol.108 (4), p.696-707

2008

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Comparison of solidification of floating drop and homogenous liquid-liquid microextractions for the extraction of two plasticizers from the water kept in PET-bottles

Journal of separation science, 2009-09, Vol.32 (18), p.3201-3208

2009

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Halogen switching of azacarbenes C2NH ground states at ab initio and DFT levels

Heteroatom chemistry, 2008-05, Vol.19 (4), p.377-388

2008

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Pyridine derived N-heterocyclic germylenes: A density functional perspective

Journal of organometallic chemistry, 2010-03, Vol.695 (5), p.760-765

2010

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A quest for triplet silylenes XHSi 3 at ab initio and DFT levels (X = H, F, Cl and Br)

Journal of organometallic chemistry, 2006, Vol.691 (9), p.1845-1856

2006

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From halo-azasilylenes to halo-phosphasilylenes (X-CNSi vs. X-CPSi) at ab initio and DFT levels

Journal of organometallic chemistry, 2006-06, Vol.691 (12), p.2666-2678

2006

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A theoretical study on C2HXSi silylenes (X = H, CN, NH2, and OMe)

Heteroatom chemistry, 2007-04, Vol.18 (3), p.283-293

2007

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Switching of global minima of novel germylenic reactive intermediates via halogens (X): C 2GeH 2 vs. C 2GeHX at ab initio and DFT levels

Journal of organometallic chemistry, 2006, Vol.691 (13), p.2933-2944

2006

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Switching of global minima of novel germylenic reactive intermediates via halogens (X): C2GeH2 vs. C2GeHX at ab initio and DFT levels

Journal of organometallic chemistry, 2006-06, Vol.691 (13), p.2933-2944

2006

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Halogen switching of azacarbenes C 2 NH ground states at ab initio and DFT levels

Heteroatom chemistry, 2008-05, Vol.19 (4), p.377-388

2008

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Environmental Applications of Cloud-Point Extraction

Comprehensive Sampling and Sample Preparation: Analytical Techniques for Scientists, 2012, Vol.3, p.657-680

2012

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Effects of fused benzene rings on tautomerizations and inversions of benzo, azabenzo, and oxabenzocycloheptatrienes at theoretical levels

Structural chemistry, 2009-06, Vol.20 (3), p.517-524

2009

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A theoretical study on C 2 HXSi silylenes (X = H, CN, NH 2 , and OMe)

Heteroatom chemistry, 2007-04, Vol.18 (3), p.283-293

2007

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Divalent propargylenic C2H2M group 14 elements:Structures and singlet–triplet energy splittings (M=C, Si, Ge, Sn and Pb)

Journal of molecular structure. Theochem, 2005-10, Vol.731 (1-3), p.225-231

2005

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Ethene Protonation Over Silica-Grafted Metal (Cr, Mo, and W) Oxide Catalysts: A Comparative Nanocluster Modeling Study

Carbenes with Reduced Heteroatom Stabilization: A Computational Approach

A DFT study on pyridine-derived N-heterocyclic carbenes

From acyclic dialkylcarbene to the unsaturated cyclic heteroatom substituted ones: a survey of stability

Reactive adsorption desulfurization of model FCC gasoline on Ni-based adsorbents: Effect of active phase dispersion on activity and HDS/HYD selectivity

In search of triplet ground state GeCNX germylenes (X = H, F, Cl, and Br): An ab initio and DFT study

A quest for triplet silylenes XHSi3 at ab initio and DFT levels (X=H, F, Cl and Br)

Effects of α-mono heteroatoms (N vs. P), and β-conjugation on cyclic silylenes

Novel α-spirocyclic (alkyl)(amino)carbenes at the theoretical crossroad of flexibility and rigidity

A theoretical investigation into dimethylcarbene and its diamino and diphosphino analogs: effects of cyclization and unsaturation on the stability and multiplicity

Reaching for cyclacenes and short nanotubes through Si substitutions as studied by DFT calculations

Novel silicon nanorings: Persilacyclacenes at DFT

Comparison of solidification of floating drop and homogenous liquid-liquid microextractions for the extraction of two plasticizers from the water kept in PET-bottles

Halogen switching of azacarbenes C2NH ground states at ab initio and DFT levels

Pyridine derived N-heterocyclic germylenes: A density functional perspective

A quest for triplet silylenes XHSi 3 at ab initio and DFT levels (X = H, F, Cl and Br)

From halo-azasilylenes to halo-phosphasilylenes (X-CNSi vs. X-CPSi) at ab initio and DFT levels

A theoretical study on C2HXSi silylenes (X = H, CN, NH2, and OMe)

Switching of global minima of novel germylenic reactive intermediates via halogens (X): C 2GeH 2 vs. C 2GeHX at ab initio and DFT levels

Switching of global minima of novel germylenic reactive intermediates via halogens (X): C2GeH2 vs. C2GeHX at ab initio and DFT levels

Halogen switching of azacarbenes C 2 NH ground states at ab initio and DFT levels

Environmental Applications of Cloud-Point Extraction

Effects of fused benzene rings on tautomerizations and inversions of benzo, azabenzo, and oxabenzocycloheptatrienes at theoretical levels

A theoretical study on C 2 HXSi silylenes (X = H, CN, NH 2 , and OMe)

Divalent propargylenic C2H2M group 14 elements:Structures and singlet–triplet energy splittings (M=C, Si, Ge, Sn and Pb)

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