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1. Full Text Ultra‐Weak Metal−Metal Bonding: Is There a Beryllium‐Beryllium Triple Bond?
by Rohman, Shahnaz S and Kashyap, Chayanika and Ullah, Sabnam S and Guha, Ankur K and Mazumder, Lakhya J and Sharma, Pankaz. K
Chemphyschem, ISSN 1439-4235, 02/2019, Volume 20, Issue 4, pp. 516 - 518
multicenter bonding | ab initio calculations | multiple bonds | s-block element | s1 type donor | type donor | Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Thermodynamics | Chemical properties | Metal bonding | Analysis | Bonds | Chemical bonds | Bonding strength | Beryllium | Electrons
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2. Full Text In Silico Search for Boron‐Beryllium Dative Bond
by Kalita, Amlan Jyoti and Rohman, Shahnaz S and Kashyap, Chayanika and Ullah, Sabnam S and Chakraborty, Antara and Guha, Ankur K
European journal of inorganic chemistry, ISSN 1434-1948, 06/2020, Volume 2020, Issue 21, pp. 2080 - 2084
Computational chemistry | Boron | Bond theory | Carbene homologues | Beryllium | Physical Sciences | Chemistry, Inorganic & Nuclear | Chemistry | Science & Technology | Chemical bonds | Quantum chemistry | Boron compounds | Beryllium compounds
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3. Full Text Carbonyl oxide chemistry in water cluster: An extended computational study
by Kashyap, Chayanika and Baruah, Indrani and Rohman, Shahnaz S and Ullah, Sabnam S and Kalita, Amlan J and Borgohain, Gargi and Guha, Ankur K
International journal of quantum chemistry, ISSN 0020-7608, 12/2020, Volume 120, Issue 23, pp. e26386 - n/a
Criegee intermediate | theoretical | water cluster | Mathematics, Interdisciplinary Applications | Quantum Science & Technology | Physical Sciences | Chemistry | Mathematics | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Clusters | Water chemistry | Carbonyls
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4. Full Text Planar Pentacoordinate Nitrogen in a Pseudo-Double-Aromatic NBe5H4 + Cluster
by Kalita, Amlan J and Rohman, Shahnaz S and Kashyap, Chayanika and Ullah, Sabnam S and Baruah, Indrani and Guha, Ankur K
Inorganic chemistry, ISSN 0020-1669, 12/2020, Volume 59, Issue 24, pp. 17880 - 17883
Physical Sciences | Chemistry, Inorganic & Nuclear | Chemistry | Science & Technology | Index Medicus
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5. Full Text Transition metal carbon quadruple bond: viability through single electron transmutation
by Kalita, Amlan J and Rohman, Shahnaz S and Kashyap, Chayanika and Ullah, Sabnam S and Guha, Ankur K
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 11/2020, Volume 22, Issue 42, pp. 24178 - 24180
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Index Medicus
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6. Full Text Transition metal carbon quadruple bond: viability through single electron transmutation (Electronic supplementary information (ESI) available: Computational details, Tables S1–S3 and Fig. S1, S2, Cartesian coordinates of the optimized geometries, lowest vibrational frequency and total energies. See DOI: 10.1039/d0cp03436c)
by Amlan J Kalita and Shahnaz S Rohman and Chayanika Kashyap and Sabnam S Ullah and Ankur K Guha
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 01/2020, Volume 22, Issue 42, pp. 24178 - 24180
Transition metals | Periodic table | Transmutation | Iron | Carbon | Single electrons | Bonding | Cartesian coordinates
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7. Full Text Computational discovery of the strongest base: Diethynylborazine dianion
by Rohman, Shahnaz S and Kashyap, Chayanika and Ullah, Sabnam S and Guha, Ankur K
Chemical physics letters, ISSN 0009-2614, 01/2019, Volume 714, pp. 65 - 68
Repulsive Coulomb barrier | Proton affinity | Calculation | Base | Multiply-charged | Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology
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8. Full Text Donor stabilized borylnitrenes: A theoretical study
by Ullah, Sabnam S and Sharma, Pankaz K and Guha, Ankur Kanti
Computational and theoretical chemistry, ISSN 2210-271X, 09/2017, Volume 1115, pp. 307 - 312
Nitrenes | DFT | ZFS | CASSCF | Physical Sciences | Chemistry | Chemistry, Physical | Science & Technology | Density functionals | Specific gravity
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9. Full Text Viability of half sandwich complexes of borole with group 14 (II) ions: Structure, stability and reactivity
by Rohman, Shahnaz S and Kashyap, Chayanika and Ullah, Sabnam S and Guha, Ankur K
Polyhedron, ISSN 0277-5387, 09/2019, Volume 170, pp. 1 - 6
Sandwich | Borole dianion | EDA | QTAIM | ELF | Physical Sciences | Chemistry, Inorganic & Nuclear | Chemistry | Crystallography | Science & Technology | Thermodynamics | Analysis | Quantum theory
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10. Full Text Hydrogen activation by isomeric aromatic phosphabenzene: A theoretical study
by Ullah, Sabnam S and Kashyap, Chayanika and Rohman, Shahnaz S and Guha, Ankur Kanti
Polyhedron, ISSN 0277-5387, 09/2019, Volume 170, pp. 690 - 694
Phosphabenzene | Hydrogen activation | Hydrogenation | Mechanism | Theoretical | Physical Sciences | Chemistry, Inorganic & Nuclear | Chemistry | Crystallography | Science & Technology | Density functionals | Specific gravity | Hydrogen
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11. Full Text Exploring the reactivity of carbene supported diboraanthracene towards dihydrogen activation
by Kashyap, Chayanika and Rohman, Shahnaz S and Ullah, Sabnam S and Guha, Ankur K
Polyhedron, ISSN 0277-5387, 09/2019, Volume 170, pp. 666 - 673
H2 activation | NHC | Reversibility | Diboraanthracene | Quantum chemical calculation | Physical Sciences | Chemistry, Inorganic & Nuclear | Chemistry | Crystallography | Science & Technology | Thermodynamics | Analysis
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12. Full Text Designing metal-free frustrated Lewis pairs for dihydrogen activation based on a carbene–borane system
by Rohman, Shahnaz S and Kashyap, Chayanika and Ullah, Sabnam S and Guha, Ankur Kanti
Polyhedron, ISSN 0277-5387, 04/2019, Volume 162, pp. 1 - 7
Carbene | Borane | Activation | FLP | Quantum chemical | Physical Sciences | Chemistry, Inorganic & Nuclear | Chemistry | Crystallography | Science & Technology
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13. Full Text Protonation of Verkade bases: a theoretical studyElectronic supplementary information (ESI) available: Fig. S1 and Cartesian coordinates of all the molecules along with their energies in a.u. See DOI: 10.1039/c8nj04977g
by Ullah, Sabnam S and Rohman, Shahnaz S and Kashyap, Chayanika and Guha, Ankur Kanti
ISSN 1144-0546, 2/2019, Volume 43, Issue 6, pp. 2575 - 2582
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14. Full Text Revisiting ultra-weak metal-metal bonding
by Rohman, Shahnaz S and Kashyap, Chayanika and Ullah, Sabnam S and Mazumder, Lakhya J and Sahu, Prem Prakash and Kalita, Amlanjyoti and Reza, Sohel and Hazarika, Pankaj P and Borah, Bichitra and Guha, Ankur Kanti
Chemical physics letters, ISSN 0009-2614, 09/2019, Volume 730, pp. 411 - 415
S1 type donor | S-block element | Calculation | Multiple bond | Multicentre bonding | Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Thermodynamics | Metal bonding | Analysis | Bonds
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15. Full Text Stabilization of neutral tricoordinate pyramidal boron: Enhanced Lewis acidity and profound reactivity
by Jyoti Kalita, Amlan and Rohman, Shahnaz S and Kashyap, Chayanika and Ullah, Sabnam S and Guha, Ankur K
Polyhedron, ISSN 0277-5387, 01/2020, Volume 175, p. 114193
Lewis acidity | Calculation | Electrophilicity | Transition metal–boron dative bond | Pyramidal boron | Physical Sciences | Chemistry, Inorganic & Nuclear | Chemistry | Crystallography | Science & Technology
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16. Full Text Non-covalent interaction in benzene and substituted benzene: A theoretical study
by Kashyap, Chayanika and Ullah, Sabnam S and Mazumder, Lakhya J and Kanti Guha, Ankur
Computational and theoretical chemistry, ISSN 2210-271X, 04/2018, Volume 1130, pp. 134 - 139
MESP | Non-covalent interaction | SAPT | NCI | QTAIM | Physical Sciences | Chemistry | Chemistry, Physical | Science & Technology
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