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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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Density functional investigation of metal encapsulated X@C12Si8 heterofullerene (X=Li+, Na+, K+, Be2+, Mg2+, Ca2+, Al3+, Ga3+)

Physica. B, Condensed matter, 2011-04, Vol.406 (8), p.1471-1476

2011

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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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Reaction pathway of NiAl/WC nanocomposite synthesized from mechanical activated Ni Al W C powder system

Ceramics international, 2019-06, Vol.45 (9), p.11833-11837

2019

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Stable C20−nSin heterofullerenes (n⩽8): A DFT approach

Chemical physics letters, 2010-05, Vol.492 (1-3), p.137-141

2010

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Isolation: A strategy for obtaining highly doped heterofullerenes

Chemical physics letters, 2011-10, Vol.514 (4-6), p.321-324

2011

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Estimating the stability and reactivity of acyclic and cyclic mono-heteroatom substituted germylenes: A density functional theory investigation

Computational and theoretical chemistry, 2013-04, Vol.1009, p.81-85

2013

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Beyond conventional N-heterocyclic silylenes: A density functional approach toward structural features and catalytic applications

Computational and theoretical chemistry, 2012-04, Vol.985, p.62-66

2012

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Stable silylenes with acyclic, cyclic, and unsaturated cyclic structures: Effects of heteroatoms and cyclopropyl α-substituents at DFT

Journal of organometallic chemistry, 2011-05, Vol.696 (10), p.2059-2064

2011

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Density functional investigation of metal encapsulated X sub(12Si) sub(8) heterofullerene (X=Li[super]+, Na[super]+, K[super]+, Be[super]2+, Mg[super]2+, Ca[super]2+, Al[super]3+, Ga[super]3+)

Physica. B, Condensed matter, 2011-04, Vol.406 (8), p.1471-1476

2011

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Monoheteroatom substituted six-membered carbenes: A computational survey of stability and reactivity

Computational and theoretical chemistry, 2011-04, Vol.965 (1), p.101-106

2011

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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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Theoretical study of highly doped heterofullerenes evolved from the smallest fullerene cage

Structural chemistry, 2012-10, Vol.23 (5), p.1503-1508

2012

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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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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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Stable α-heteroatom-free dialkylcarbenes: a DFT study

Structural chemistry, 2011-02, Vol.22 (1), p.141-147

2011

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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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THEORETICAL STUDY OF HIGHLY DOPED HETEROFULLERENES EVOLVED FROM THE D 6h SYMMETRY C 36 CAGE

Journal of theoretical & computational chemistry, 2013-11, Vol.12 (7), p.1350067

2013

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Toward stable N-heterocyclic silylenes at theoretical levels

Journal of molecular structure. Theochem, 2009-11, Vol.913 (1), p.16-21

2009

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How steric effects favor thiepins over their benzene sulfide tautomers at theoretical levels?

Journal of molecular structure. Theochem, 2008-07, Vol.861 (1), p.117-121

2008

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Experimental and theoretical investigation of the influence of post-curing on mixed mode fracture properties of 3d-printed polymer samples

Scientific reports, 2024-06, Vol.14 (1), p.13216-15

2024

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Halogen bonding in UiO-66 frameworks promotes superior chemical warfare agent simulant degradation

Chemical communications (Cambridge, England), 2019-03, Vol.55 (24), p.3481-3484

2019

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The effect of freeze–thaw cycles on physical and mechanical properties of granitoid hard rocks

Bulletin of engineering geology and the environment, 2016-11, Vol.75 (4), p.1649-1656

2016

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C9orf72 , age at onset, and ancestry help discriminate behavioral from language variants in FTLD cohorts

Neurology, 2020-12, Vol.95 (24), p.e3288

2020

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Electrochemical and quantum chemical assessment of two organic compounds from pyridine derivatives as corrosion inhibitors for mild steel in HCl solution under stagnant condition and hydrodynamic flow

Corrosion science, 2014-01, Vol.78, p.138-150

2014

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Carbenes with Reduced Heteroatom Stabilization: A Computational Approach

Density functional investigation of metal encapsulated X@C12Si8 heterofullerene (X=Li+, Na+, K+, Be2+, Mg2+, Ca2+, Al3+, Ga3+)

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

Reaction pathway of NiAl/WC nanocomposite synthesized from mechanical activated Ni Al W C powder system

Stable C20−nSin heterofullerenes (n⩽8): A DFT approach

Isolation: A strategy for obtaining highly doped heterofullerenes

Estimating the stability and reactivity of acyclic and cyclic mono-heteroatom substituted germylenes: A density functional theory investigation

Beyond conventional N-heterocyclic silylenes: A density functional approach toward structural features and catalytic applications

Stable silylenes with acyclic, cyclic, and unsaturated cyclic structures: Effects of heteroatoms and cyclopropyl α-substituents at DFT

Density functional investigation of metal encapsulated X sub(12Si) sub(8) heterofullerene (X=Li[super]+, Na[super]+, K[super]+, Be[super]2+, Mg[super]2+, Ca[super]2+, Al[super]3+, Ga[super]3+)

Monoheteroatom substituted six-membered carbenes: A computational survey of stability and reactivity

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

Theoretical study of highly doped heterofullerenes evolved from the smallest fullerene cage

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

Pyridine derived N-heterocyclic germylenes: A density functional perspective

Stable α-heteroatom-free dialkylcarbenes: a DFT study

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

THEORETICAL STUDY OF HIGHLY DOPED HETEROFULLERENES EVOLVED FROM THE D 6h SYMMETRY C 36 CAGE

Toward stable N-heterocyclic silylenes at theoretical levels

How steric effects favor thiepins over their benzene sulfide tautomers at theoretical levels?

Experimental and theoretical investigation of the influence of post-curing on mixed mode fracture properties of 3d-printed polymer samples

Halogen bonding in UiO-66 frameworks promotes superior chemical warfare agent simulant degradation

The effect of freeze–thaw cycles on physical and mechanical properties of granitoid hard rocks

C9orf72 , age at onset, and ancestry help discriminate behavioral from language variants in FTLD cohorts

Electrochemical and quantum chemical assessment of two organic compounds from pyridine derivatives as corrosion inhibitors for mild steel in HCl solution under stagnant condition and hydrodynamic flow

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