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A New Generation of BnNn Rings as a Supplement to Boron Nitride Tubes and Cages

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-02, Vol.117 (7), p.1670-1684

2013

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IUPAC Critical Evaluation of Thermochemical Properties of Selected Radicals. Part I

Journal of physical and chemical reference data, 2005-06, Vol.34 (2), p.573-656

2005

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On the Covalent Character of Rare Gas Bonding Interactions: A New Kind of Weak Interaction

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-01, Vol.117 (1), p.207-212

2013

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Pseudo Jahn-Teller origin of cis-trans and other conformational changes. The role of double bonds

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (8), p.3502-3513

2011

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Symmetry breaking in the ground state of BNB: a high level multireference study

The Journal of chemical physics, 2009-05, Vol.130 (18), p.184305-184305

2009

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Relativistic ab initio study on PtF and HePtF

Dalton transactions : an international journal of inorganic chemistry, 2010-01, Vol.39 (8), p.2023

2010

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Pseudo Jahn–Teller Origin of Nonplanarity and Rectangular-Ring Structure of Tetrafluorocyclobutadiene

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-07, Vol.116 (28), p.7564-7570

2012

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Pseudo Jahn–Teller Effect and Natural Bond Orbital Analysis of Structural Properties of Tetrahydridodimetallenes M2H4, (M = Si, Ge, and Sn)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-02, Vol.117 (7), p.1621-1631

2013

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A New Generation of B n N n Rings as a Supplement to Boron Nitride Tubes and Cages

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-02, Vol.117 (7), p.1670-1684

2013

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Combined Jahn−Teller and Pseudo-Jahn−Teller Effect in the CO3 Molecule: A Seven-State Six-Mode Problem

Journal of chemical theory and computation, 2009-10, Vol.5 (10), p.2679-2686

2009

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Theoretical study of RgMF (Rg = He, Ne; M = Cu, Ag, Au): Bonded structures of helium

Chemical physics letters, 2009-11, Vol.482 (4), p.207-210

2009

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Pseudo Jahn–Teller origin of bending instability of triatomic molecules

Journal of molecular structure, 2012-09, Vol.1023, p.108-114

2012

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NMR contour maps as a new parameter of carboxyl’s OH groups in amino acids recognition: A reason of tRNA–amino acid conjugation

Chemical physics, 2014-03, Vol.433, p.1-11

2014

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Theoretical study of the electronic states of CuCl2

The Journal of chemical physics, 2009-04, Vol.130 (15), p.154313-154313

2009

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He@Mo6Cl8F6: A Stable Complex of Helium

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-01, Vol.114 (1), p.646-651

2010

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Structural evidence of anomeric effects in the anesthetic isoflurane

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (14), p.6610-6618

2011

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Why Are Some ML2 Molecules (M = Ca, Sr, Ba; L = H, F, Cl, Br) Bent while Others are Linear? Implications of the Pseudo Jahn−Teller Effect

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-10, Vol.111 (41), p.10409-10415

2007

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Lost topological (Berry) phase factor in electronic structure calculations. Example: the ozone molecule

Physical review letters, 2006-04, Vol.96 (16), p.163005-163005, Article 163005

2006

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Orbital disproportionation and spin crossover as a pseudo Jahn-Teller effect

The Journal of chemical physics, 2006-09, Vol.125 (10), p.104102-104102-11

2006

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Stereoelectronic interaction effects on the conformational properties of hydrogen peroxide and its analogues containing S and Se atoms: An ab initio, hybrid-DFT study and NBO analysis

Journal of molecular graphics & modelling, 2010-06, Vol.28 (8), p.807-813

2010

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Theoretical Study on Low-Lying Electronic States of NiH2

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-05, Vol.112 (17), p.4100-4105

2008

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Ground and valence-excited states of SF: a multireference configuration interaction with single and double excitations+Q study

The Journal of chemical physics, 2005-05, Vol.122 (19), p.194307-194307

2005

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Extensive ab initio study of the electronic states of SCl including spin-orbit coupling

The Journal of chemical physics, 2005-11, Vol.123 (18), p.184304-184304-7

2005

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Extensive ab initio study of the valence and low-lying Rydberg states of BBr including spin-orbit coupling

The Journal of chemical physics, 2006-05, Vol.124 (19), p.194307-194307

2006

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Coupled Cluster CCSD(T) Calculations of Equilibrium Geometries, Anharmonic Force Fields, and Thermodynamic Properties of the Formyl (HCO) and Isoformyl (COH) Radical Species

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-04, Vol.107 (13), p.2343-2350

2003

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A New Generation of BnNn Rings as a Supplement to Boron Nitride Tubes and Cages

IUPAC Critical Evaluation of Thermochemical Properties of Selected Radicals. Part I

On the Covalent Character of Rare Gas Bonding Interactions: A New Kind of Weak Interaction

Pseudo Jahn-Teller origin of cis-trans and other conformational changes. The role of double bonds

Symmetry breaking in the ground state of BNB: a high level multireference study

Relativistic ab initio study on PtF and HePtF

Pseudo Jahn–Teller Origin of Nonplanarity and Rectangular-Ring Structure of Tetrafluorocyclobutadiene

Pseudo Jahn–Teller Effect and Natural Bond Orbital Analysis of Structural Properties of Tetrahydridodimetallenes M2H4, (M = Si, Ge, and Sn)

A New Generation of B n N n Rings as a Supplement to Boron Nitride Tubes and Cages

Combined Jahn−Teller and Pseudo-Jahn−Teller Effect in the CO3 Molecule: A Seven-State Six-Mode Problem

Theoretical study of RgMF (Rg = He, Ne; M = Cu, Ag, Au): Bonded structures of helium

Pseudo Jahn–Teller origin of bending instability of triatomic molecules

NMR contour maps as a new parameter of carboxyl’s OH groups in amino acids recognition: A reason of tRNA–amino acid conjugation

Theoretical study of the electronic states of CuCl2

He@Mo6Cl8F6: A Stable Complex of Helium

Structural evidence of anomeric effects in the anesthetic isoflurane

Why Are Some ML2 Molecules (M = Ca, Sr, Ba; L = H, F, Cl, Br) Bent while Others are Linear? Implications of the Pseudo Jahn−Teller Effect

Lost topological (Berry) phase factor in electronic structure calculations. Example: the ozone molecule

Orbital disproportionation and spin crossover as a pseudo Jahn-Teller effect

Stereoelectronic interaction effects on the conformational properties of hydrogen peroxide and its analogues containing S and Se atoms: An ab initio, hybrid-DFT study and NBO analysis

Theoretical Study on Low-Lying Electronic States of NiH2

Ground and valence-excited states of SF: a multireference configuration interaction with single and double excitations+Q study

Extensive ab initio study of the electronic states of SCl including spin-orbit coupling

Extensive ab initio study of the valence and low-lying Rydberg states of BBr including spin-orbit coupling

Coupled Cluster CCSD(T) Calculations of Equilibrium Geometries, Anharmonic Force Fields, and Thermodynamic Properties of the Formyl (HCO) and Isoformyl (COH) Radical Species

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